CID 463680

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

Structural Information

Molecular Formula
C25H22ClN5O2
SMILES
CN(C)C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5N4)Cl
InChI
InChI=1S/C25H22ClN5O2/c1-30(2)16-13-11-15(12-14-16)22-21(26)25(33)31(22)29-24(32)18-8-4-3-7-17(18)23-27-19-9-5-6-10-20(19)28-23/h3-14,21-22H,1-2H3,(H,27,28)(H,29,32)
InChIKey
SACGARIOJHRCBU-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1462 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15348 210.1
[M+Na]+ 482.13542 217.0
[M-H]- 458.13892 219.6
[M+NH4]+ 477.18002 211.0
[M+K]+ 498.10936 212.8
[M+H-H2O]+ 442.14346 192.4
[M+HCOO]- 504.14440 223.7
[M+CH3COO]- 518.16005 217.5
[M+Na-2H]- 480.12087 209.3
[M]+ 459.14565 221.5
[M]- 459.14675 221.5
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.