CID 463676

2-(1h-benzimidazol-2-yl)-n-(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)benzamide

Structural Information

Molecular Formula
C23H17ClN4O2
SMILES
C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5N4)Cl
InChI
InChI=1S/C23H17ClN4O2/c24-19-20(14-8-2-1-3-9-14)28(23(19)30)27-22(29)16-11-5-4-10-15(16)21-25-17-12-6-7-13-18(17)26-21/h1-13,19-20H,(H,25,26)(H,27,29)
InChIKey
DJGWPBYFHHYZJC-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.104 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11128 194.5
[M+Na]+ 439.09322 202.7
[M-H]- 415.09672 202.8
[M+NH4]+ 434.13782 196.8
[M+K]+ 455.06716 197.1
[M+H-H2O]+ 399.10126 177.7
[M+HCOO]- 461.10220 207.6
[M+CH3COO]- 475.11785 202.8
[M+Na-2H]- 437.07867 195.7
[M]+ 416.10345 204.4
[M]- 416.10455 204.4
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.