CID 24777265

N-hexyl-2-[(2e)-2-(2-thienylmethylene)hydrazino]quinoline-4-carboxamide

Structural Information

Molecular Formula
C21H24N4OS
SMILES
CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N/N=C/C3=CC=CS3
InChI
InChI=1S/C21H24N4OS/c1-2-3-4-7-12-22-21(26)18-14-20(24-19-11-6-5-10-17(18)19)25-23-15-16-9-8-13-27-16/h5-6,8-11,13-15H,2-4,7,12H2,1H3,(H,22,26)(H,24,25)/b23-15+
InChIKey
UCNKBHZLXREVGZ-HZHRSRAPSA-N
Compound name
N-hexyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16708 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 189.3
[M+Na]+ 403.15630 195.6
[M-H]- 379.15980 196.7
[M+NH4]+ 398.20090 203.0
[M+K]+ 419.13024 189.1
[M+H-H2O]+ 363.16434 179.8
[M+HCOO]- 425.16528 211.2
[M+CH3COO]- 439.18093 225.9
[M+Na-2H]- 401.14175 192.8
[M]+ 380.16653 194.5
[M]- 380.16763 194.5
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.