PubChemLite - Cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine (C25H30Cl2N6)

Structural Information

Molecular Formula

SMILES

CCCN1C(=NC(=C1C2=NC(=NC=C2)NC3CC3)C4=CC(=C(C=C4)Cl)Cl)C5CCN(CC5)C

InChI

InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)

InChIKey

XCTKFTOEAKJMII-UHFFFAOYSA-N

Compound name

N-cyclopropyl-4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]pyrimidin-2-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	485.19818	221.8
[M+Na]+	507.18012	230.0
[M-H]-	483.18362	228.5
[M+NH4]+	502.22472	220.7
[M+K]+	523.15406	219.1
[M+H-H2O]+	467.18816	207.8
[M+HCOO]-	529.18910	226.6
[M+CH3COO]-	543.20475	226.5
[M+Na-2H]-	505.16557	216.2
[M]+	484.19035	223.7
[M]-	484.19145	223.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.19818

221.8

[M+Na]+

507.18012

230.0

[M-H]-

483.18362

228.5

[M+NH4]+

502.22472

220.7

[M+K]+

523.15406

219.1

[M+H-H2O]+

467.18816

207.8

[M+HCOO]-

529.18910

226.6

[M+CH3COO]-

543.20475

226.5

[M+Na-2H]-

505.16557

216.2

[M]+

484.19035

223.7

[M]-

484.19145

223.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe