CID 489619

Nsc651657

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C([C@@H](C2=O)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18ClN3O4/c1-11(24)21-14-7-3-13(4-8-14)18(25)22-23-17(16(20)19(23)26)12-5-9-15(27-2)10-6-12/h3-10,16-17H,1-2H3,(H,21,24)(H,22,25)/t16-,17?/m0/s1
InChIKey
CFUGHBUMEYSBNF-BHWOMJMDSA-N
Compound name
4-acetamido-N-[(3S)-3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.09857 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 189.0
[M+Na]+ 410.08779 194.4
[M-H]- 386.09129 196.9
[M+NH4]+ 405.13239 192.8
[M+K]+ 426.06173 193.4
[M+H-H2O]+ 370.09583 173.7
[M+HCOO]- 432.09677 205.0
[M+CH3COO]- 446.11242 226.3
[M+Na-2H]- 408.07324 188.3
[M]+ 387.09802 200.6
[M]- 387.09912 200.6
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.