CID 54676664

Mls000715511

Structural Information

Molecular Formula
C19H17N3O5S
SMILES
C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O
InChI
InChI=1S/C19H17N3O5S/c1-2-11-22-14-9-5-3-7-12(14)17(23)16(19(22)25)18(24)21-13-8-4-6-10-15(13)28(20,26)27/h2-10,23H,1,11H2,(H,21,24)(H2,20,26,27)
InChIKey
BOWXVSBRCKAMCQ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1-prop-2-enyl-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

399.0889 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09618 190.7
[M+Na]+ 422.07812 198.8
[M-H]- 398.08162 195.5
[M+NH4]+ 417.12272 200.1
[M+K]+ 438.05206 192.6
[M+H-H2O]+ 382.08616 182.2
[M+HCOO]- 444.08710 205.4
[M+CH3COO]- 458.10275 222.6
[M+Na-2H]- 420.06357 193.9
[M]+ 399.08835 193.0
[M]- 399.08945 193.0
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.