CID 2761120

N-(2-methoxyethyl)-n-{1-[4-(methylsulfonyl)phenyl]ethyl}amine

Structural Information

Molecular Formula
C12H19NO3S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)C)NCCOC
InChI
InChI=1S/C12H19NO3S/c1-10(13-8-9-16-2)11-4-6-12(7-5-11)17(3,14)15/h4-7,10,13H,8-9H2,1-3H3
InChIKey
PXCLVBLJRPLSEC-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-1-(4-methylsulfonylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.10855 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11583 157.3
[M+Na]+ 280.09777 163.8
[M-H]- 256.10127 160.8
[M+NH4]+ 275.14237 174.4
[M+K]+ 296.07171 161.1
[M+H-H2O]+ 240.10581 150.8
[M+HCOO]- 302.10675 174.9
[M+CH3COO]- 316.12240 195.8
[M+Na-2H]- 278.08322 160.1
[M]+ 257.10800 161.7
[M]- 257.10910 161.7
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.