CID 6474767

Nsc651663

Structural Information

Molecular Formula
C20H18ClN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)/C=C\C3=CC=CC=C3
InChI
InChI=1S/C20H18ClN3O3/c1-13(25)22-16-10-8-15(9-11-16)19(26)23-24-17(18(21)20(24)27)12-7-14-5-3-2-4-6-14/h2-12,17-18H,1H3,(H,22,25)(H,23,26)/b12-7-
InChIKey
VJBMUESHSPZPMA-GHXNOFRVSA-N
Compound name
4-acetamido-N-[3-chloro-2-oxo-4-[(Z)-2-phenylethenyl]azetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.10367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11095 190.5
[M+Na]+ 406.09289 195.4
[M-H]- 382.09639 197.9
[M+NH4]+ 401.13749 194.4
[M+K]+ 422.06683 192.7
[M+H-H2O]+ 366.10093 175.1
[M+HCOO]- 428.10187 206.2
[M+CH3COO]- 442.11752 224.4
[M+Na-2H]- 404.07834 189.8
[M]+ 383.10312 200.0
[M]- 383.10422 200.0
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.