CID 9588791

2-butenedioic acid (z)-, mono(((4-methoxyphenyl)phenylmethylene)hydrazide)

Structural Information

Molecular Formula
C18H16N2O4
SMILES
COC1=CC=C(C=C1)/C(=N/NC(=O)/C=C\C(=O)O)/C2=CC=CC=C2
InChI
InChI=1S/C18H16N2O4/c1-24-15-9-7-14(8-10-15)18(13-5-3-2-4-6-13)20-19-16(21)11-12-17(22)23/h2-12H,1H3,(H,19,21)(H,22,23)/b12-11-,20-18+
InChIKey
TYLPNIGEQLIOTA-ZQXPJFHISA-N
Compound name
(Z)-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 175.1
[M+Na]+ 347.100218 179.1
[M-H]- 323.103724 181.2
[M+NH4]+ 342.144823 187.6
[M+K]+ 363.074158 176.0
[M+H-H2O]+ 307.108260 166.1
[M+HCOO]- 369.109201 198.7
[M+CH3COO]- 383.124851 211.0
[M+Na-2H]- 345.085666 177.6
[M]+ 324.11045142 175.2
[M]- 324.11154858 175.2
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.