CID 6477374

Nsc651665

Structural Information

Molecular Formula
C17H14ClN3O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2/C(=C\C3=CC=CO3)/C(C2=O)Cl
InChI
InChI=1S/C17H14ClN3O4/c1-10(22)19-12-6-4-11(5-7-12)16(23)20-21-14(15(18)17(21)24)9-13-3-2-8-25-13/h2-9,15H,1H3,(H,19,22)(H,20,23)/b14-9-
InChIKey
RBFYPIYXDYCZLF-ZROIWOOFSA-N
Compound name
4-acetamido-N-[(2Z)-3-chloro-2-(furan-2-ylmethylidene)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0673 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.07458 180.9
[M+Na]+ 382.05652 186.4
[M-H]- 358.06002 189.8
[M+NH4]+ 377.10112 186.2
[M+K]+ 398.03046 185.7
[M+H-H2O]+ 342.06456 167.0
[M+HCOO]- 404.06550 197.6
[M+CH3COO]- 418.08115 217.9
[M+Na-2H]- 380.04197 180.2
[M]+ 359.06675 192.0
[M]- 359.06785 192.0
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.