CID 24777267

2-(n'-isobutylidene-hydrazino)-quinoline-4-carboxylic acid hexylamide

Structural Information

Molecular Formula
C20H28N4O
SMILES
CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N/N=C/C(C)C
InChI
InChI=1S/C20H28N4O/c1-4-5-6-9-12-21-20(25)17-13-19(24-22-14-15(2)3)23-18-11-8-7-10-16(17)18/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3,(H,21,25)(H,23,24)/b22-14+
InChIKey
QFFNHGLKCYUESB-HYARGMPZSA-N
Compound name
N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.22632 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23360 185.5
[M+Na]+ 363.21554 189.2
[M-H]- 339.21904 188.8
[M+NH4]+ 358.26014 198.4
[M+K]+ 379.18948 185.1
[M+H-H2O]+ 323.22358 175.8
[M+HCOO]- 385.22452 208.0
[M+CH3COO]- 399.24017 225.0
[M+Na-2H]- 361.20099 189.1
[M]+ 340.22577 187.6
[M]- 340.22687 187.6
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.