CID 504619

Chembl48367

Structural Information

Molecular Formula
C15H14N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C2=NC3=C(C(=O)O2)SC=C3
InChI
InChI=1S/C15H14N2O4S2/c1-9-3-5-11(6-4-9)23(19,20)17-10(2)14-16-12-7-8-22-13(12)15(18)21-14/h3-8,10,17H,1-2H3/t10-/m0/s1
InChIKey
STCREHGGWMCNRS-JTQLQIEISA-N
Compound name
4-methyl-N-[(1S)-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04678 177.5
[M+Na]+ 373.02872 188.7
[M-H]- 349.03222 185.6
[M+NH4]+ 368.07332 191.6
[M+K]+ 389.00266 184.3
[M+H-H2O]+ 333.03676 171.4
[M+HCOO]- 395.03770 191.0
[M+CH3COO]- 409.05335 208.9
[M+Na-2H]- 371.01417 181.7
[M]+ 350.03895 185.2
[M]- 350.04005 185.2
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.