CID 135478937

1-ethoxycarbonylmethyl-3-phenylhydrazinomethylenepyrrolidine-2,4-dione

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CCOC(=O)CN1CC(=C(C1=O)/C=N/NC2=CC=CC=C2)O
InChI
InChI=1S/C15H17N3O4/c1-2-22-14(20)10-18-9-13(19)12(15(18)21)8-16-17-11-6-4-3-5-7-11/h3-8,17,19H,2,9-10H2,1H3/b16-8+
InChIKey
JTBSGHCTVORIFA-LZYBPNLTSA-N
Compound name
ethyl 2-[3-hydroxy-5-oxo-4-[(E)-(phenylhydrazinylidene)methyl]-2H-pyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 167.8
[M+Na]+ 326.111138 174.0
[M-H]- 302.114644 173.4
[M+NH4]+ 321.155743 182.5
[M+K]+ 342.085078 171.2
[M+H-H2O]+ 286.119180 159.2
[M+HCOO]- 348.120121 192.4
[M+CH3COO]- 362.135771 207.0
[M+Na-2H]- 324.096586 169.9
[M]+ 303.12137142 169.6
[M]- 303.12246858 169.6
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

patents stripe