CID 268254

15448-89-2

Structural Information

Molecular Formula
C25H19NO2S
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H19NO2S/c27-29(28)24-19-11-10-18-23(24)25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)26(29)22-16-8-3-9-17-22/h1-19H
InChIKey
IMBDLLLXABONQR-UHFFFAOYSA-N
Compound name
2,3,3-triphenyl-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.11365 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.12093 196.9
[M+Na]+ 420.10287 207.6
[M-H]- 396.10637 209.8
[M+NH4]+ 415.14747 213.1
[M+K]+ 436.07681 199.9
[M+H-H2O]+ 380.11091 186.4
[M+HCOO]- 442.11185 214.1
[M+CH3COO]- 456.12750 207.6
[M+Na-2H]- 418.08832 200.3
[M]+ 397.11310 198.8
[M]- 397.11420 198.8
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.