CID 135409072

Nsc657582

Structural Information

Molecular Formula
C17H14N4O4S2
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)/C=N/C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O
InChI
InChI=1S/C17H14N4O4S2/c18-27(24,25)11-7-5-10(6-8-11)20-17(26)19-9-13-15(22)12-3-1-2-4-14(12)21-16(13)23/h1-9H,(H,20,26)(H2,18,24,25)(H2,21,22,23)/b19-9+
InChIKey
AWCWWUMOUJHBDD-DJKKODMXSA-N
Compound name
(1E)-1-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)methylidene]-3-(4-sulfamoylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.04565 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.05293 187.2
[M+Na]+ 425.03487 194.6
[M-H]- 401.03837 190.9
[M+NH4]+ 420.07947 196.2
[M+K]+ 441.00881 186.2
[M+H-H2O]+ 385.04291 179.3
[M+HCOO]- 447.04385 197.9
[M+CH3COO]- 461.05950 221.1
[M+Na-2H]- 423.02032 192.4
[M]+ 402.04510 187.0
[M]- 402.04620 187.0
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.