CID 492166

3-cyano-2-hydrazino-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C19H16N4O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(N3)NN)C#N)C(=O)O
InChI
InChI=1S/C19H16N4O2/c20-11-16-15(19(24)25)10-17(22-18(16)23-21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-10,18,22-23H,21H2,(H,24,25)
InChIKey
AMDORXYOCNKRFZ-UHFFFAOYSA-N
Compound name
3-cyano-2-hydrazinyl-6-(4-phenylphenyl)-1,2-dihydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.12732 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 186.2
[M+Na]+ 355.11654 193.8
[M-H]- 331.12004 189.3
[M+NH4]+ 350.16114 194.3
[M+K]+ 371.09048 185.9
[M+H-H2O]+ 315.12458 170.3
[M+HCOO]- 377.12552 201.4
[M+CH3COO]- 391.14117 192.9
[M+Na-2H]- 353.10199 186.8
[M]+ 332.12677 175.3
[M]- 332.12787 175.3
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.