CID 477214

N2-(5,6-dichloro-1h-benzimidazol-2-yl)-6-methyl-n4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H23Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NCCCN4CCCC4
InChI
InChI=1S/C19H23Cl2N7/c1-12-9-17(22-5-4-8-28-6-2-3-7-28)26-18(23-12)27-19-24-15-10-13(20)14(21)11-16(15)25-19/h9-11H,2-8H2,1H3,(H3,22,23,24,25,26,27)
InChIKey
HLRBHNSCGHEEBT-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1392 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14648 197.2
[M+Na]+ 442.12842 205.9
[M-H]- 418.13192 199.8
[M+NH4]+ 437.17302 205.5
[M+K]+ 458.10236 196.7
[M+H-H2O]+ 402.13646 185.2
[M+HCOO]- 464.13740 204.9
[M+CH3COO]- 478.15305 204.4
[M+Na-2H]- 440.11387 196.8
[M]+ 419.13865 199.0
[M]- 419.13975 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.