CID 9588916

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

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)/C=C\C(=O)O)/C2=CC=CC=C2
InChI
InChI=1S/C18H16N2O3/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)20-19-16(21)11-12-17(22)23/h2-12H,1H3,(H,19,21)(H,22,23)/b12-11-,20-18+
InChIKey
ATJWJAKGDZXFEO-ZQXPJFHISA-N
Compound name
(Z)-4-[(2E)-2-[(4-methylphenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 173.2
[M+Na]+ 331.10532 183.8
[M+NH4]+ 326.14992 178.9
[M+K]+ 347.07926 177.8
[M-H]- 307.10882 176.5
[M+Na-2H]- 329.09077 180.1
[M]+ 308.11555 175.3
[M]- 308.11665 175.3
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.