CID 2246605

2-butenedioic acid (z)-, mono((diphenylmethylene)hydrazide)

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C(C=C1)C(=NNC(=O)/C=C\C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C17H14N2O3/c20-15(11-12-16(21)22)18-19-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,18,20)(H,21,22)/b12-11-
InChIKey
AACSXNDMQHZLAL-QXMHVHEDSA-N
Compound name
(Z)-4-(2-benzhydrylidenehydrazinyl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 167.9
[M+Na]+ 317.08965 171.7
[M-H]- 293.09315 173.9
[M+NH4]+ 312.13425 181.5
[M+K]+ 333.06359 168.0
[M+H-H2O]+ 277.09769 159.2
[M+HCOO]- 339.09863 191.7
[M+CH3COO]- 353.11428 204.6
[M+Na-2H]- 315.07510 171.6
[M]+ 294.09988 165.9
[M]- 294.10098 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.