CID 24776658

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

Structural Information

Molecular Formula
C22H18N4OS
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=CS4
InChI
InChI=1S/C22H18N4OS/c27-22(23-14-16-7-2-1-3-8-16)19-13-21(25-20-11-5-4-10-18(19)20)26-24-15-17-9-6-12-28-17/h1-13,15H,14H2,(H,23,27)(H,25,26)/b24-15+
InChIKey
JGOBCSBPZCVDEX-BUVRLJJBSA-N
Compound name
N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12012 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12740 187.8
[M+Na]+ 409.10934 195.1
[M-H]- 385.11284 198.6
[M+NH4]+ 404.15394 200.7
[M+K]+ 425.08328 188.0
[M+H-H2O]+ 369.11738 177.9
[M+HCOO]- 431.11832 210.7
[M+CH3COO]- 445.13397 198.2
[M+Na-2H]- 407.09479 193.3
[M]+ 386.11957 190.8
[M]- 386.12067 190.8
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.