CID 3040879

Brn 2900408

Structural Information

Molecular Formula
C16H18N2O4S2
SMILES
CCSC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)S(=O)(=O)N)O
InChI
InChI=1S/C16H18N2O4S2/c1-2-23-13-7-3-11(4-8-13)15(19)16(20)18-12-5-9-14(10-6-12)24(17,21)22/h3-10,16,18,20H,2H2,1H3,(H2,17,21,22)
InChIKey
NEEZGSBBSQUEKB-UHFFFAOYSA-N
Compound name
4-[[2-(4-ethylsulfanylphenyl)-1-hydroxy-2-oxoethyl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0708 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07808 180.9
[M+Na]+ 389.06002 185.6
[M-H]- 365.06352 184.5
[M+NH4]+ 384.10462 191.5
[M+K]+ 405.03396 179.2
[M+H-H2O]+ 349.06806 173.0
[M+HCOO]- 411.06900 191.0
[M+CH3COO]- 425.08465 213.6
[M+Na-2H]- 387.04547 181.6
[M]+ 366.07025 181.7
[M]- 366.07135 181.7
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.