CID 477198

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

Structural Information

Molecular Formula
C18H23Cl2N7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C18H23Cl2N7/c1-4-27(5-2)7-6-21-16-8-11(3)22-17(25-16)26-18-23-14-9-12(19)13(20)10-15(14)24-18/h8-10H,4-7H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKey
JDHXXHVDYKTODN-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1392 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14648 196.2
[M+Na]+ 430.12842 205.7
[M-H]- 406.13192 198.5
[M+NH4]+ 425.17302 205.5
[M+K]+ 446.10236 197.6
[M+H-H2O]+ 390.13646 185.6
[M+HCOO]- 452.13740 207.9
[M+CH3COO]- 466.15305 204.5
[M+Na-2H]- 428.11387 199.1
[M]+ 407.13865 202.2
[M]- 407.13975 202.2
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.