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 169.1
[M+Na]+ 317.08965 179.5
[M+NH4]+ 312.13425 174.9
[M+K]+ 333.06359 173.5
[M-H]- 293.09315 172.3
[M+Na-2H]- 315.07510 176.4
[M]+ 294.09988 171.0
[M]- 294.10098 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.