CID 9588915

160282-16-6

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC=CC=C1/C(=N/NC(=O)/C=C\C(=O)O)/C2=CC=CC=C2
InChI
InChI=1S/C18H16N2O3/c1-13-7-5-6-10-15(13)18(14-8-3-2-4-9-14)20-19-16(21)11-12-17(22)23/h2-12H,1H3,(H,19,21)(H,22,23)/b12-11-,20-18+
InChIKey
YCZVLDKFTUFDHP-ZQXPJFHISA-N
Compound name
(Z)-4-[(2E)-2-[(2-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 172.4
[M+Na]+ 331.10532 176.6
[M-H]- 307.10882 178.6
[M+NH4]+ 326.14992 185.7
[M+K]+ 347.07926 172.8
[M+H-H2O]+ 291.11336 163.7
[M+HCOO]- 353.11430 195.9
[M+CH3COO]- 367.12995 208.8
[M+Na-2H]- 329.09077 174.8
[M]+ 308.11555 171.1
[M]- 308.11665 171.1
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.