PubChemLite - Glxc-26326 (C25H27F4N7O)

Structural Information

Molecular Formula

SMILES

CN(C)CCN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3CC(=O)N4)C5=CC(=C(C=C5)F)C(F)(F)F

InChI

InChI=1S/C25H27F4N7O/c1-34(2)9-10-36-13-20(16-3-4-19(26)18(11-16)25(27,28)29)32-23(36)15-5-7-35(8-6-15)24-17-12-21(37)33-22(17)30-14-31-24/h3-4,11,13-15H,5-10,12H2,1-2H3,(H,30,31,33,37)

InChIKey

YDFKZIGAUIKZGP-UHFFFAOYSA-N

Compound name

4-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

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]+	518.22858	224.8
[M+Na]+	540.21052	231.6
[M-H]-	516.21402	226.5
[M+NH4]+	535.25512	226.8
[M+K]+	556.18446	222.6
[M+H-H2O]+	500.21856	208.8
[M+HCOO]-	562.21950	229.9
[M+CH3COO]-	576.23515	228.7
[M+Na-2H]-	538.19597	217.7
[M]+	517.22075	218.3
[M]-	517.22185	218.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.22858

224.8

[M+Na]+

540.21052

231.6

[M-H]-

516.21402

226.5

[M+NH4]+

535.25512

226.8

[M+K]+

556.18446

222.6

[M+H-H2O]+

500.21856

208.8

[M+HCOO]-

562.21950

229.9

[M+CH3COO]-

576.23515

228.7

[M+Na-2H]-

538.19597

217.7

[M]+

517.22075

218.3

[M]-

517.22185

218.3

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

Glxc-26326

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe