CID 24777011

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

Structural Information

Molecular Formula
C21H16N4OS
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=CS4
InChI
InChI=1S/C21H16N4OS/c26-21(23-15-7-2-1-3-8-15)18-13-20(24-19-11-5-4-10-17(18)19)25-22-14-16-9-6-12-27-16/h1-14H,(H,23,26)(H,24,25)/b22-14+
InChIKey
OLZYURZPMAPTFQ-HYARGMPZSA-N
Compound name
N-phenyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1045 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11178 183.6
[M+Na]+ 395.09372 191.4
[M-H]- 371.09722 194.6
[M+NH4]+ 390.13832 197.0
[M+K]+ 411.06766 184.4
[M+H-H2O]+ 355.10176 173.9
[M+HCOO]- 417.10270 206.8
[M+CH3COO]- 431.11835 194.5
[M+Na-2H]- 393.07917 189.6
[M]+ 372.10395 186.3
[M]- 372.10505 186.3
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.