CID 5710902

Dtxsid301329402

Structural Information

Molecular Formula
C16H15N3O3
SMILES
C1=CC=C(C=C1)/C(=N\NC(=O)C2=CC=NC=C2)/CCC(=O)O
InChI
InChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21)/b18-14-
InChIKey
KUKGXWMNCZIDQD-JXAWBTAJSA-N
Compound name
(4Z)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 168.6
[M+Na]+ 320.10055 178.9
[M+NH4]+ 315.14515 174.0
[M+K]+ 336.07449 173.6
[M-H]- 296.10405 171.3
[M+Na-2H]- 318.08600 175.9
[M]+ 297.11078 170.4
[M]- 297.11188 170.4
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.