CID 374184

Nsc651660

Structural Information

Molecular Formula
C19H18ClN3O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H18ClN3O5/c1-10(24)21-13-6-3-11(4-7-13)18(26)22-23-17(16(20)19(23)27)12-5-8-14(25)15(9-12)28-2/h3-9,16-17,25H,1-2H3,(H,21,24)(H,22,26)
InChIKey
YCHMHIPPMJWXPU-UHFFFAOYSA-N
Compound name
4-acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0935 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10078 192.5
[M+Na]+ 426.08272 197.9
[M-H]- 402.08622 199.4
[M+NH4]+ 421.12732 195.1
[M+K]+ 442.05666 197.1
[M+H-H2O]+ 386.09076 177.5
[M+HCOO]- 448.09170 207.1
[M+CH3COO]- 462.10735 227.8
[M+Na-2H]- 424.06817 190.7
[M]+ 403.09295 204.1
[M]- 403.09405 204.1
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.