CID 285315

42389-04-8

Structural Information

Molecular Formula
C19H23Cl2N7
SMILES
CCN1CCCC(C1)NC2=NC(=NC(=C2)C)NC3=NC4=CC(=C(C=C4N3)Cl)Cl
InChI
InChI=1S/C19H23Cl2N7/c1-3-28-6-4-5-12(10-28)23-17-7-11(2)22-18(26-17)27-19-24-15-8-13(20)14(21)9-16(15)25-19/h7-9,12H,3-6,10H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKey
ZGCXEEXDIAIOOK-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-(1-ethylpiperidin-3-yl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.1392 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14648 199.1
[M+Na]+ 442.12842 208.1
[M-H]- 418.13192 201.1
[M+NH4]+ 437.17302 205.7
[M+K]+ 458.10236 198.4
[M+H-H2O]+ 402.13646 186.9
[M+HCOO]- 464.13740 204.4
[M+CH3COO]- 478.15305 205.7
[M+Na-2H]- 440.11387 200.0
[M]+ 419.13865 199.1
[M]- 419.13975 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.