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

literature stripe

Patent stripe

patents stripe