CID 6448637

2-butenedioic acid (z)-, monomethyl ester, (diphenylmethylene)hydrazide

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC(=O)/C=C\C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H16N2O3/c1-23-17(22)13-12-16(21)19-20-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3,(H,19,21)/b13-12-
InChIKey
HYWITPJGOLMEHL-SEYXRHQNSA-N
Compound name
methyl (Z)-4-(2-benzhydrylidenehydrazinyl)-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 172.8
[M+Na]+ 331.10532 176.6
[M-H]- 307.10882 180.0
[M+NH4]+ 326.14992 186.5
[M+K]+ 347.07926 173.5
[M+H-H2O]+ 291.11336 163.6
[M+HCOO]- 353.11430 197.7
[M+CH3COO]- 367.12995 209.3
[M+Na-2H]- 329.09077 176.3
[M]+ 308.11555 172.8
[M]- 308.11665 172.8
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.