CID 264327

2-phenylaminomethylene-malonic acid diethyl ester

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC(=O)C(=CNC1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C14H17NO4/c1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3
InChIKey
PYPCDUKQEIPHAF-UHFFFAOYSA-N
Compound name
diethyl 2-(anilinomethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

477
Patents

263.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 161.2
[M+Na]+ 286.10497 165.6
[M-H]- 262.10847 164.1
[M+NH4]+ 281.14957 177.0
[M+K]+ 302.07891 164.3
[M+H-H2O]+ 246.11301 153.9
[M+HCOO]- 308.11395 183.7
[M+CH3COO]- 322.12960 197.4
[M+Na-2H]- 284.09042 163.3
[M]+ 263.11520 163.7
[M]- 263.11630 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe