CID 477215

Zojzleunhofdka-uhfffaoysa-n

Structural Information

Molecular Formula
C19H23Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NCCN4CCCCC4
InChI
InChI=1S/C19H23Cl2N7/c1-12-9-17(22-5-8-28-6-3-2-4-7-28)26-18(23-12)27-19-24-15-10-13(20)14(21)11-16(15)25-19/h9-11H,2-8H2,1H3,(H3,22,23,24,25,26,27)
InChIKey
ZOJZLEUNHOFDKA-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1392 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14648 196.9
[M+Na]+ 442.12842 204.9
[M-H]- 418.13192 198.5
[M+NH4]+ 437.17302 203.2
[M+K]+ 458.10236 195.3
[M+H-H2O]+ 402.13646 184.4
[M+HCOO]- 464.13740 202.3
[M+CH3COO]- 478.15305 203.3
[M+Na-2H]- 440.11387 198.7
[M]+ 419.13865 196.5
[M]- 419.13975 196.5
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.