CID 49777728

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

Structural Information

Molecular Formula
C19H18Cl2N4O
SMILES
C1CCN(C1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=CC(=C4Cl)Cl
InChI
InChI=1S/C19H18Cl2N4O/c20-14-7-8-15-18(17(14)21)24-19(23-15)12-3-5-13(6-4-12)22-16(26)11-25-9-1-2-10-25/h3-8H,1-2,9-11H2,(H,22,26)(H,23,24)
InChIKey
YIBQYYXGSNJURL-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dichloro-1H-benzimidazol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.08575 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09303 190.2
[M+Na]+ 411.07497 199.1
[M-H]- 387.07847 195.4
[M+NH4]+ 406.11957 202.4
[M+K]+ 427.04891 190.5
[M+H-H2O]+ 371.08301 180.5
[M+HCOO]- 433.08395 199.1
[M+CH3COO]- 447.09960 199.0
[M+Na-2H]- 409.06042 188.8
[M]+ 388.08520 191.6
[M]- 388.08630 191.6
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.