CID 10309597

Chembl2397992

Structural Information

Molecular Formula
C18H22N2O6S
SMILES
COC1=C(C=C(C=C1)NS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)N
InChI
InChI=1S/C18H22N2O6S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)20-12-5-6-16(24-2)15(19)9-12/h5-11,20H,19H2,1-4H3/b8-7+
InChIKey
OLRRWEXEHIWZJV-BQYQJAHWSA-N
Compound name
(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

394.11984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12712 190.0
[M+Na]+ 417.10906 197.3
[M-H]- 393.11256 196.6
[M+NH4]+ 412.15366 201.0
[M+K]+ 433.08300 193.7
[M+H-H2O]+ 377.11710 181.2
[M+HCOO]- 439.11804 209.0
[M+CH3COO]- 453.13369 223.7
[M+Na-2H]- 415.09451 191.6
[M]+ 394.11929 197.7
[M]- 394.12039 197.7
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