CID 16078349

Chembl381243

Structural Information

Molecular Formula
C17H14N2O4S
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C17H14N2O4S/c1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22/h2-10H,1H3,(H2,18,21,22)
InChIKey
LBYPGUINQFECHD-UHFFFAOYSA-N
Compound name
4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

342.0674 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07468 176.9
[M+Na]+ 365.05662 187.1
[M-H]- 341.06012 186.9
[M+NH4]+ 360.10122 190.5
[M+K]+ 381.03056 183.1
[M+H-H2O]+ 325.06466 168.7
[M+HCOO]- 387.06560 196.8
[M+CH3COO]- 401.08125 214.6
[M+Na-2H]- 363.04207 183.5
[M]+ 342.06685 181.8
[M]- 342.06795 181.8
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