CID 463682

2-(1h-benzimidazol-2-yl)-n-[3-chloro-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]benzamide

Structural Information

Molecular Formula
C24H19ClN4O3
SMILES
COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5N4)Cl
InChI
InChI=1S/C24H19ClN4O3/c1-32-15-12-10-14(11-13-15)21-20(25)24(31)29(21)28-23(30)17-7-3-2-6-16(17)22-26-18-8-4-5-9-19(18)27-22/h2-13,20-21H,1H3,(H,26,27)(H,28,30)
InChIKey
DRQNRBMWVGJOOB-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.11456 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12184 202.4
[M+Na]+ 469.10378 210.4
[M-H]- 445.10728 210.8
[M+NH4]+ 464.14838 203.5
[M+K]+ 485.07772 205.6
[M+H-H2O]+ 429.11182 185.4
[M+HCOO]- 491.11276 215.1
[M+CH3COO]- 505.12841 210.2
[M+Na-2H]- 467.08923 202.3
[M]+ 446.11401 214.2
[M]- 446.11511 214.2
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.