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

4
Patents

303.12192 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 167.8
[M+Na]+ 326.11114 174.0
[M-H]- 302.11464 173.4
[M+NH4]+ 321.15574 182.5
[M+K]+ 342.08508 171.2
[M+H-H2O]+ 286.11918 159.2
[M+HCOO]- 348.12012 192.4
[M+CH3COO]- 362.13577 207.0
[M+Na-2H]- 324.09659 169.9
[M]+ 303.12137 169.6
[M]- 303.12247 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