CID 2246605

144333-80-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.107706	167.9
[M+Na]+	317.089648	171.7
[M-H]-	293.093154	173.9
[M+NH4]+	312.134253	181.5
[M+K]+	333.063588	168.0
[M+H-H2O]+	277.097690	159.2
[M+HCOO]-	339.098631	191.7
[M+CH3COO]-	353.114281	204.6
[M+Na-2H]-	315.075096	171.6
[M]+	294.09988142	165.9
[M]-	294.10097858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.