CID 374574

Nsc652548

Structural Information

Molecular Formula
C15H12N2O5
SMILES
COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C=CC3=O)C=O
InChI
InChI=1S/C15H12N2O5/c1-22-10-4-2-9(3-5-10)16-11(8-18)14(15(16)21)17-12(19)6-7-13(17)20/h2-8,11,14H,1H3
InChIKey
LIGPYBFRILLHOR-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrol-1-yl)-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07462 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08190 159.5
[M+Na]+ 323.06384 168.0
[M-H]- 299.06734 167.3
[M+NH4]+ 318.10844 167.4
[M+K]+ 339.03778 167.9
[M+H-H2O]+ 283.07188 146.2
[M+HCOO]- 345.07282 179.8
[M+CH3COO]- 359.08847 206.2
[M+Na-2H]- 321.04929 159.2
[M]+ 300.07407 171.4
[M]- 300.07517 171.4
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.