CID 477219

N2-(5,6-dichloro-1h-benzimidazol-2-yl)-n4-(1-ethyl-pyrrolidin-3-ylmethyl)-6-methyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H23Cl2N7
SMILES
CCN1CCC(C1)CNC2=NC(=NC(=C2)C)NC3=NC4=CC(=C(C=C4N3)Cl)Cl
InChI
InChI=1S/C19H23Cl2N7/c1-3-28-5-4-12(10-28)9-22-17-6-11(2)23-18(26-17)27-19-24-15-7-13(20)14(21)8-16(15)25-19/h6-8,12H,3-5,9-10H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKey
OGCWMYNCZROTKG-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1392 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14648 199.3
[M+Na]+ 442.12842 208.9
[M-H]- 418.13192 202.3
[M+NH4]+ 437.17302 207.9
[M+K]+ 458.10236 199.7
[M+H-H2O]+ 402.13646 187.7
[M+HCOO]- 464.13740 206.9
[M+CH3COO]- 478.15305 206.7
[M+Na-2H]- 440.11387 198.0
[M]+ 419.13865 201.5
[M]- 419.13975 201.5
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.