CID 477196

Ffbujmxehrckcb-uhfffaoysa-n

Structural Information

Molecular Formula
C18H22ClN7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)Cl)NCCN4CCCC4
InChI
InChI=1S/C18H22ClN7/c1-12-10-16(20-6-9-26-7-2-3-8-26)24-17(21-12)25-18-22-14-5-4-13(19)11-15(14)23-18/h4-5,10-11H,2-3,6-9H2,1H3,(H3,20,21,22,23,24,25)
InChIKey
FFBUJMXEHRCKCB-UHFFFAOYSA-N
Compound name
2-N-(6-chloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16254 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16982 185.3
[M+Na]+ 394.15176 193.5
[M-H]- 370.15526 188.7
[M+NH4]+ 389.19636 194.8
[M+K]+ 410.12570 185.1
[M+H-H2O]+ 354.15980 173.4
[M+HCOO]- 416.16074 198.7
[M+CH3COO]- 430.17639 193.6
[M+Na-2H]- 392.13721 187.1
[M]+ 371.16199 185.4
[M]- 371.16309 185.4
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.