CID 49777729

N-[4-(4,5-dichloro-1h-benzimidazol-2-yl)phenyl]-2-(1-piperidyl)acetamide

Structural Information

Molecular Formula
C20H20Cl2N4O
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=CC(=C4Cl)Cl
InChI
InChI=1S/C20H20Cl2N4O/c21-15-8-9-16-19(18(15)22)25-20(24-16)13-4-6-14(7-5-13)23-17(27)12-26-10-2-1-3-11-26/h4-9H,1-3,10-12H2,(H,23,27)(H,24,25)
InChIKey
QERCJNULDAGUBL-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dichloro-1H-benzimidazol-2-yl)phenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1014 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10868 192.7
[M+Na]+ 425.09062 200.3
[M-H]- 401.09412 196.7
[M+NH4]+ 420.13522 202.3
[M+K]+ 441.06456 191.3
[M+H-H2O]+ 385.09866 182.1
[M+HCOO]- 447.09960 198.9
[M+CH3COO]- 461.11525 200.3
[M+Na-2H]- 423.07607 192.8
[M]+ 402.10085 192.2
[M]- 402.10195 192.2
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.