CID 1827530

N-methyl-2-(2-(phenylthio)phenyl)ethylamine oxalate

Structural Information

Molecular Formula
C15H17NS
SMILES
CNCCC1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C15H17NS/c1-16-12-11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
InChIKey
RPMTZTCTVQCHMU-UHFFFAOYSA-N
Compound name
N-methyl-2-(2-phenylsulfanylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.10817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11545 153.4
[M+Na]+ 266.09739 160.2
[M-H]- 242.10089 160.0
[M+NH4]+ 261.14199 171.2
[M+K]+ 282.07133 154.9
[M+H-H2O]+ 226.10543 146.0
[M+HCOO]- 288.10637 173.4
[M+CH3COO]- 302.12202 194.8
[M+Na-2H]- 264.08284 157.7
[M]+ 243.10762 154.8
[M]- 243.10872 154.8
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

patents stripe