CID 49340

67057-93-6

Structural Information

Molecular Formula
C16H19NO3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)CCNCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO3S/c1-20-15-7-9-16(10-8-15)21(18,19)12-11-17-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKey
BJCSTSDENUBUSO-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4-methoxyphenyl)sulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.10855 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.115826 169.4
[M+Na]+ 328.097768 176.0
[M-H]- 304.101274 175.9
[M+NH4]+ 323.142373 184.2
[M+K]+ 344.071708 171.4
[M+H-H2O]+ 288.105810 161.5
[M+HCOO]- 350.106751 188.4
[M+CH3COO]- 364.122401 202.7
[M+Na-2H]- 326.083216 174.1
[M]+ 305.10800142 173.3
[M]- 305.10909858 173.3
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.