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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.123376	172.4
[M+Na]+	331.105318	176.6
[M-H]-	307.108824	178.6
[M+NH4]+	326.149923	185.7
[M+K]+	347.079258	172.8
[M+H-H2O]+	291.113360	163.7
[M+HCOO]-	353.114301	195.9
[M+CH3COO]-	367.129951	208.8
[M+Na-2H]-	329.090766	174.8
[M]+	308.11555142	171.1
[M]-	308.11664858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.