CID 373555

Nsc650008

Structural Information

Molecular Formula
C19H19ClN2O4
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)OC
InChI
InChI=1S/C19H19ClN2O4/c1-25-14-9-8-13(11-15(14)26-2)18-17(20)19(24)22(18)21-16(23)10-12-6-4-3-5-7-12/h3-9,11,17-18H,10H2,1-2H3,(H,21,23)
InChIKey
BXXOPEXHUPEHLH-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(3,4-dimethoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10333 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11061 182.1
[M+Na]+ 397.09255 188.8
[M-H]- 373.09605 190.0
[M+NH4]+ 392.13715 187.1
[M+K]+ 413.06649 187.4
[M+H-H2O]+ 357.10059 167.4
[M+HCOO]- 419.10153 198.1
[M+CH3COO]- 433.11718 221.5
[M+Na-2H]- 395.07800 182.5
[M]+ 374.10278 195.8
[M]- 374.10388 195.8
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.