CID 501156

62382-15-4

Structural Information

Molecular Formula
C19H17NO3S
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=[N+]3[O-]
InChI
InChI=1S/C19H17NO3S/c1-15-9-5-6-12-17(15)19(16-10-3-2-4-11-16)24(22,23)18-13-7-8-14-20(18)21/h2-14,19H,1H3
InChIKey
MSVJOROQGPJLFB-UHFFFAOYSA-N
Compound name
2-[(2-methylphenyl)-phenylmethyl]sulfonyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.09293 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10021 178.1
[M+Na]+ 362.08215 184.7
[M-H]- 338.08565 185.3
[M+NH4]+ 357.12675 188.8
[M+K]+ 378.05609 174.0
[M+H-H2O]+ 322.09019 173.5
[M+HCOO]- 384.09113 193.0
[M+CH3COO]- 398.10678 197.5
[M+Na-2H]- 360.06760 183.2
[M]+ 339.09238 176.8
[M]- 339.09348 176.8
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.