CID 3080347

Brn 4501568

Structural Information

Molecular Formula
C15H17NO4S
SMILES
C[N+](C)(CC1=CC=CC=C1S(=O)(=O)C2=CC=CC(=C2)O)[O-]
InChI
InChI=1S/C15H17NO4S/c1-16(2,18)11-12-6-3-4-9-15(12)21(19,20)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKey
QPRZYHVGBDSKDI-UHFFFAOYSA-N
Compound name
1-[2-(3-hydroxyphenyl)sulfonylphenyl]-N,N-dimethylmethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08783 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.095106 165.5
[M+Na]+ 330.077048 172.2
[M-H]- 306.080554 171.2
[M+NH4]+ 325.121653 179.5
[M+K]+ 346.050988 163.2
[M+H-H2O]+ 290.085090 163.2
[M+HCOO]- 352.086031 182.2
[M+CH3COO]- 366.101681 193.0
[M+Na-2H]- 328.062496 173.4
[M]+ 307.08728142 165.5
[M]- 307.08837858 165.5
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.