CID 477216

N2-(5,6-dichloro-1h-benzimidazol-2-yl)-6-methyl-n4-[3-(1-piperidyl)propyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C20H25Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NCCCN4CCCCC4
InChI
InChI=1S/C20H25Cl2N7/c1-13-10-18(23-6-5-9-29-7-3-2-4-8-29)27-19(24-13)28-20-25-16-11-14(21)15(22)12-17(16)26-20/h10-12H,2-9H2,1H3,(H3,23,24,25,26,27,28)
InChIKey
YOCLUNYOOQJFJS-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.15485 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16213 200.9
[M+Na]+ 456.14407 208.5
[M-H]- 432.14757 202.3
[M+NH4]+ 451.18867 206.6
[M+K]+ 472.11801 198.6
[M+H-H2O]+ 416.15211 188.2
[M+HCOO]- 478.15305 205.9
[M+CH3COO]- 492.16870 206.8
[M+Na-2H]- 454.12952 202.2
[M]+ 433.15430 200.8
[M]- 433.15540 200.8
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.