CID 23661666

Cvt-10216

Structural Information

Molecular Formula
C24H19NO7S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)C(=O)O
InChI
InChI=1S/C24H19NO7S/c1-33(29,30)25-18-7-5-16(6-8-18)21-14-32-22-12-19(9-10-20(22)23(21)26)31-13-15-3-2-4-17(11-15)24(27)28/h2-12,14,25H,13H2,1H3,(H,27,28)
InChIKey
YYOOFJZTRCPVFD-UHFFFAOYSA-N
Compound name
3-[[3-[4-(methanesulfonamido)phenyl]-4-oxochromen-7-yl]oxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

96
Patents

465.08823 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.09551 206.8
[M+Na]+ 488.07745 214.2
[M-H]- 464.08095 217.0
[M+NH4]+ 483.12205 213.3
[M+K]+ 504.05139 210.9
[M+H-H2O]+ 448.08549 196.9
[M+HCOO]- 510.08643 221.6
[M+CH3COO]- 524.10208 232.3
[M+Na-2H]- 486.06290 211.5
[M]+ 465.08768 213.4
[M]- 465.08878 213.4
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