CID 24776655

2-(n-isobutylidene-hydrazine)-quinoline-4-carboxylic acid phenylamide

Structural Information

Molecular Formula
C20H20N4O
SMILES
CC(C)/C=N/NC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H20N4O/c1-14(2)13-21-24-19-12-17(16-10-6-7-11-18(16)23-19)20(25)22-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,22,25)(H,23,24)/b21-13+
InChIKey
LIBWYSPAMROYSJ-FYJGNVAPSA-N
Compound name
2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-N-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 178.7
[M+Na]+ 355.15292 183.7
[M-H]- 331.15642 185.7
[M+NH4]+ 350.19752 191.4
[M+K]+ 371.12686 178.9
[M+H-H2O]+ 315.16096 168.4
[M+HCOO]- 377.16190 202.6
[M+CH3COO]- 391.17755 220.9
[M+Na-2H]- 353.13837 185.1
[M]+ 332.16315 178.2
[M]- 332.16425 178.2
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.