CID 71314765

1346598-11-5

Structural Information

Molecular Formula
C13H14ClN3O2
SMILES
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)C=O
InChI
InChI=1S/C13H14ClN3O2/c14-9-1-2-12-11(7-9)15-13(19)17(12)10-3-5-16(8-18)6-4-10/h1-2,7-8,10H,3-6H2,(H,15,19)
InChIKey
KVXFJSQPTDUFPA-UHFFFAOYSA-N
Compound name
4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07745 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08473 161.4
[M+Na]+ 302.06667 172.0
[M-H]- 278.07017 163.9
[M+NH4]+ 297.11127 176.5
[M+K]+ 318.04061 165.2
[M+H-H2O]+ 262.07471 152.9
[M+HCOO]- 324.07565 174.2
[M+CH3COO]- 338.09130 172.5
[M+Na-2H]- 300.05212 164.0
[M]+ 279.07690 161.4
[M]- 279.07800 161.4
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.