CID 10446295

1-[(5-chloro-1h-benzimidazol-2-yl)carbonyl]-4-methylpiperazine maleate

Structural Information

Molecular Formula
C13H15ClN4O
SMILES
CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKey
MOIWSUQWIOVGRH-UHFFFAOYSA-N
Compound name
(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

185
Patents

278.09344 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.100716 163.2
[M+Na]+ 301.082658 172.5
[M-H]- 277.086164 164.0
[M+NH4]+ 296.127263 176.7
[M+K]+ 317.056598 166.0
[M+H-H2O]+ 261.090700 153.7
[M+HCOO]- 323.091641 173.3
[M+CH3COO]- 337.107291 173.2
[M+Na-2H]- 299.068106 165.3
[M]+ 278.09289142 161.9
[M]- 278.09398858 161.9
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

patents stripe