CID 6478456

Chembl83910

Structural Information

Molecular Formula
C23H18N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)ON2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O5S/c1-29-19-12-14-20(15-13-19)31(27,28)30-25-22(18-10-6-3-7-11-18)24-21(23(25)26)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKey
CRZQFTCOTCLRHB-PGMHBOJBSA-N
Compound name
[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.09363 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10091 203.9
[M+Na]+ 457.08285 212.5
[M-H]- 433.08635 214.8
[M+NH4]+ 452.12745 212.3
[M+K]+ 473.05679 206.4
[M+H-H2O]+ 417.09089 193.6
[M+HCOO]- 479.09183 219.8
[M+CH3COO]- 493.10748 221.9
[M+Na-2H]- 455.06830 204.2
[M]+ 434.09308 208.4
[M]- 434.09418 208.4
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.