CID 5597903

Brn 3558558

Structural Information

Molecular Formula
C17H14N2O4
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C2=CC=CC=C2)/O
InChI
InChI=1S/C17H14N2O4/c20-14(12-7-3-1-4-8-12)11-15(21)17(23)19-18-16(22)13-9-5-2-6-10-13/h1-11,20H,(H,18,22)(H,19,23)/b14-11-
InChIKey
ITLWLZXCJOTNDS-KAMYIIQDSA-N
Compound name
N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

310.09537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 171.9
[M+Na]+ 333.08459 180.9
[M+NH4]+ 328.12919 176.7
[M+K]+ 349.05853 176.7
[M-H]- 309.08809 173.9
[M+Na-2H]- 331.07004 177.9
[M]+ 310.09482 173.2
[M]- 310.09592 173.2
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

patents stripe