CID 3009198

2,4,6-trimethyl-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C21H19NO3S2
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3)C
InChI
InChI=1S/C21H19NO3S2/c1-13-10-14(2)21(15(3)11-13)27(23,24)22-16-8-9-18-20(12-16)26-19-7-5-4-6-17(19)25-18/h4-12,22H,1-3H3
InChIKey
YPDDXXDCRKNYLS-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.08063 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08791 188.2
[M+Na]+ 420.06985 197.5
[M-H]- 396.07335 196.7
[M+NH4]+ 415.11445 200.7
[M+K]+ 436.04379 191.9
[M+H-H2O]+ 380.07789 180.7
[M+HCOO]- 442.07883 197.7
[M+CH3COO]- 456.09448 198.2
[M+Na-2H]- 418.05530 194.0
[M]+ 397.08008 193.2
[M]- 397.08118 193.2
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.