CID 374174

Nsc651650

Structural Information

Molecular Formula
C18H18ClN3O4
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)OC
InChI
InChI=1S/C18H18ClN3O4/c1-25-13-8-5-11(9-14(13)26-2)16-15(19)18(24)22(16)21-17(23)10-3-6-12(20)7-4-10/h3-9,15-16H,20H2,1-2H3,(H,21,23)
InChIKey
UVDDRVGAYVQLGT-UHFFFAOYSA-N
Compound name
4-amino-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

375.09857 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10585 185.7
[M+Na]+ 398.08779 192.5
[M-H]- 374.09129 193.5
[M+NH4]+ 393.13239 190.2
[M+K]+ 414.06173 191.3
[M+H-H2O]+ 358.09583 170.7
[M+HCOO]- 420.09677 202.2
[M+CH3COO]- 434.11242 224.6
[M+Na-2H]- 396.07324 184.9
[M]+ 375.09802 197.8
[M]- 375.09912 197.8
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.