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]+ 309.123376 172.8
[M+Na]+ 331.105318 176.6
[M-H]- 307.108824 180.0
[M+NH4]+ 326.149923 186.5
[M+K]+ 347.079258 173.5
[M+H-H2O]+ 291.113360 163.6
[M+HCOO]- 353.114301 197.7
[M+CH3COO]- 367.129951 209.3
[M+Na-2H]- 329.090766 176.3
[M]+ 308.11555142 172.8
[M]- 308.11664858 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.