CID 289851

42388-81-8

Structural Information

Molecular Formula
C20H27Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NCCN(C(C)C)C(C)C
InChI
InChI=1S/C20H27Cl2N7/c1-11(2)29(12(3)4)7-6-23-18-8-13(5)24-19(27-18)28-20-25-16-9-14(21)15(22)10-17(16)26-20/h8-12H,6-7H2,1-5H3,(H3,23,24,25,26,27,28)
InChIKey
LFKOKEPNPNOGQB-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1705 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17778 204.2
[M+Na]+ 458.15972 212.2
[M-H]- 434.16322 206.6
[M+NH4]+ 453.20432 212.3
[M+K]+ 474.13366 204.9
[M+H-H2O]+ 418.16776 193.9
[M+HCOO]- 480.16870 213.5
[M+CH3COO]- 494.18435 238.3
[M+Na-2H]- 456.14517 204.2
[M]+ 435.16995 210.0
[M]- 435.17105 210.0
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.