CID 477206

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

Structural Information

Molecular Formula
C20H25Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NC4CCC(CC4)N(C)C
InChI
InChI=1S/C20H25Cl2N7/c1-11-8-18(24-12-4-6-13(7-5-12)29(2)3)27-19(23-11)28-20-25-16-9-14(21)15(22)10-17(16)26-20/h8-10,12-13H,4-7H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKey
PYROISFYLGUSPN-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[4-(dimethylamino)cyclohexyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.15485 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16213 202.7
[M+Na]+ 456.14407 210.5
[M-H]- 432.14757 207.3
[M+NH4]+ 451.18867 210.4
[M+K]+ 472.11801 202.2
[M+H-H2O]+ 416.15211 191.1
[M+HCOO]- 478.15305 210.7
[M+CH3COO]- 492.16870 209.7
[M+Na-2H]- 454.12952 203.3
[M]+ 433.15430 203.5
[M]- 433.15540 203.5
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.