CID 374795

Nsc653040

Structural Information

Molecular Formula
C20H15ClN2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3C(C(=O)N3NC(=O)C4=CC=CC=C4O)Cl)O
InChI
InChI=1S/C20H15ClN2O4/c21-17-18(16-12-6-2-1-5-11(12)9-10-15(16)25)23(20(17)27)22-19(26)13-7-3-4-8-14(13)24/h1-10,17-18,24-25H,(H,22,26)
InChIKey
DRQSPJXYANHMHN-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(2-hydroxynaphthalen-1-yl)-4-oxoazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.07202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07930 184.1
[M+Na]+ 405.06124 191.7
[M-H]- 381.06474 190.7
[M+NH4]+ 400.10584 188.4
[M+K]+ 421.03518 188.6
[M+H-H2O]+ 365.06928 169.9
[M+HCOO]- 427.07022 196.5
[M+CH3COO]- 441.08587 219.6
[M+Na-2H]- 403.04669 185.5
[M]+ 382.07147 194.1
[M]- 382.07257 194.1
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.