CID 477222

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

Structural Information

Molecular Formula
C18H21Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NC4CCCN(C4)C
InChI
InChI=1S/C18H21Cl2N7/c1-10-6-16(22-11-4-3-5-27(2)9-11)25-17(21-10)26-18-23-14-7-12(19)13(20)8-15(14)24-18/h6-8,11H,3-5,9H2,1-2H3,(H3,21,22,23,24,25,26)
InChIKey
WQIVRKKFMWCBQS-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12354 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13082 195.1
[M+Na]+ 428.11276 204.5
[M-H]- 404.11626 197.3
[M+NH4]+ 423.15736 202.2
[M+K]+ 444.08670 195.0
[M+H-H2O]+ 388.12080 183.1
[M+HCOO]- 450.12174 200.8
[M+CH3COO]- 464.13739 202.1
[M+Na-2H]- 426.09821 196.4
[M]+ 405.12299 194.8
[M]- 405.12409 194.8
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.