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]+ 306.11583 169.4
[M+Na]+ 328.09777 176.0
[M-H]- 304.10127 175.9
[M+NH4]+ 323.14237 184.2
[M+K]+ 344.07171 171.4
[M+H-H2O]+ 288.10581 161.5
[M+HCOO]- 350.10675 188.4
[M+CH3COO]- 364.12240 202.7
[M+Na-2H]- 326.08322 174.1
[M]+ 305.10800 173.3
[M]- 305.10910 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.