CID 54675961

4-bromo-n'-[(1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]benzenesulfonohydrazide

Structural Information

Molecular Formula
C18H16BrN3O5S
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C18H16BrN3O5S/c1-2-22-14-6-4-3-5-13(14)16(23)15(18(22)25)17(24)20-21-28(26,27)12-9-7-11(19)8-10-12/h3-10,21,23H,2H2,1H3,(H,20,24)
InChIKey
TYRYRYIEHIKQEC-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)sulfonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

464.9994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.00668 185.1
[M+Na]+ 487.98862 195.4
[M-H]- 463.99212 192.5
[M+NH4]+ 483.03322 196.1
[M+K]+ 503.96256 182.2
[M+H-H2O]+ 447.99666 182.4
[M+HCOO]- 509.99760 198.4
[M+CH3COO]- 524.01325 227.8
[M+Na-2H]- 485.97407 191.4
[M]+ 464.99885 206.8
[M]- 464.99995 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.