CID 3075704

198649-70-6

Structural Information

Molecular Formula
C23H17N3O5S
SMILES
C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=COC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H17N3O5S/c27-22-16(15-31-21-9-5-4-8-20(21)22)14-24-17-10-12-19(13-11-17)32(29,30)26-23(28)25-18-6-2-1-3-7-18/h1-15H,(H2,25,26,28)
InChIKey
IKVIPZVEJDJVOH-UHFFFAOYSA-N
Compound name
1-[4-[(4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.0889 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.09618 203.0
[M+Na]+ 470.07812 209.6
[M-H]- 446.08162 215.2
[M+NH4]+ 465.12272 210.8
[M+K]+ 486.05206 205.5
[M+H-H2O]+ 430.08616 192.4
[M+HCOO]- 492.08710 222.9
[M+CH3COO]- 506.10275 234.4
[M+Na-2H]- 468.06357 211.1
[M]+ 447.08835 206.8
[M]- 447.08945 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.