PubChemLite - Rymzcuguovetov-uhfffaoysa-n (C21H29Cl2N7)

Structural Information

Molecular Formula

SMILES

CCCN(CCC)CC(C)NC1=NC(=NC(=C1)C)NC2=NC3=CC(=C(C=C3N2)Cl)Cl

InChI

InChI=1S/C21H29Cl2N7/c1-5-7-30(8-6-2)12-14(4)24-19-9-13(3)25-20(28-19)29-21-26-17-10-15(22)16(23)11-18(17)27-21/h9-11,14H,5-8,12H2,1-4H3,(H3,24,25,26,27,28,29)

InChIKey

RYMZCUGUOVETOV-UHFFFAOYSA-N

Compound name

2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[1-(dipropylamino)propan-2-yl]-6-methylpyrimidine-2,4-diamine

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]+	450.19344	208.7
[M+Na]+	472.17538	216.5
[M-H]-	448.17888	210.7
[M+NH4]+	467.21998	216.3
[M+K]+	488.14932	208.5
[M+H-H2O]+	432.18342	197.9
[M+HCOO]-	494.18436	218.5
[M+CH3COO]-	508.20001	240.2
[M+Na-2H]-	470.16083	209.2
[M]+	449.18561	215.3
[M]-	449.18671	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.19344

208.7

[M+Na]+

472.17538

216.5

[M-H]-

448.17888

210.7

[M+NH4]+

467.21998

216.3

[M+K]+

488.14932

208.5

[M+H-H2O]+

432.18342

197.9

[M+HCOO]-

494.18436

218.5

[M+CH3COO]-

508.20001

240.2

[M+Na-2H]-

470.16083

209.2

[M]+

449.18561

215.3

[M]-

449.18671

215.3

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

Rymzcuguovetov-uhfffaoysa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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