CID 374185

Nsc651661

Structural Information

Molecular Formula
C20H20ClN3O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H20ClN3O5/c1-11(25)22-14-7-4-12(5-8-14)19(26)23-24-18(17(21)20(24)27)13-6-9-15(28-2)16(10-13)29-3/h4-10,17-18H,1-3H3,(H,22,25)(H,23,26)
InChIKey
RWIZYFRKHLJFKW-UHFFFAOYSA-N
Compound name
4-acetamido-N-[3-chloro-2-(3,4-dimethoxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.10916 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11644 196.0
[M+Na]+ 440.09838 201.4
[M-H]- 416.10188 204.0
[M+NH4]+ 435.14298 198.7
[M+K]+ 456.07232 201.1
[M+H-H2O]+ 400.10642 180.5
[M+HCOO]- 462.10736 211.7
[M+CH3COO]- 476.12301 232.6
[M+Na-2H]- 438.08383 194.2
[M]+ 417.10861 209.6
[M]- 417.10971 209.6
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.