CID 3075708

198649-74-0

Structural Information

Molecular Formula
C23H17N3O4S2
SMILES
C1=CC=C(C=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=COC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H17N3O4S2/c27-22-16(15-30-21-9-5-4-8-20(21)22)14-24-17-10-12-19(13-11-17)32(28,29)26-23(31)25-18-6-2-1-3-7-18/h1-15H,(H2,25,26,31)
InChIKey
SAWVEYFZCIUOGG-UHFFFAOYSA-N
Compound name
1-[4-[(4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.06604 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.07332 206.4
[M+Na]+ 486.05526 213.3
[M-H]- 462.05876 217.6
[M+NH4]+ 481.09986 214.0
[M+K]+ 502.02920 206.8
[M+H-H2O]+ 446.06330 196.6
[M+HCOO]- 508.06424 221.0
[M+CH3COO]- 522.07989 214.7
[M+Na-2H]- 484.04071 213.9
[M]+ 463.06549 209.6
[M]- 463.06659 209.6
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.