CID 477211

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

Structural Information

Molecular Formula
C22H29Cl2N7
SMILES
CCN(CC)C1CCC(CC1)NC2=NC(=NC(=C2)C)NC3=NC4=CC(=C(C=C4N3)Cl)Cl
InChI
InChI=1S/C22H29Cl2N7/c1-4-31(5-2)15-8-6-14(7-9-15)26-20-10-13(3)25-21(29-20)30-22-27-18-11-16(23)17(24)12-19(18)28-22/h10-12,14-15H,4-9H2,1-3H3,(H3,25,26,27,28,29,30)
InChIKey
LQUXCOHFQXNQJK-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[4-(diethylamino)cyclohexyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.18616 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.19344 210.8
[M+Na]+ 484.17538 217.7
[M-H]- 460.17888 215.1
[M+NH4]+ 479.21998 217.4
[M+K]+ 500.14932 209.1
[M+H-H2O]+ 444.18342 198.8
[M+HCOO]- 506.18436 218.2
[M+CH3COO]- 520.20001 217.0
[M+Na-2H]- 482.16083 210.5
[M]+ 461.18561 212.3
[M]- 461.18671 212.3
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.