CID 3080273

N,n-dimethyl-1-(2-(phenylthio)phenyl)-2-propylamine maleate

Structural Information

Molecular Formula
C17H21NS
SMILES
CC(CN(C)C)C1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C17H21NS/c1-14(13-18(2)3)16-11-7-8-12-17(16)19-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKey
IUYQEBANDIHPKF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-phenylsulfanylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13947 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14675 163.5
[M+Na]+ 294.12869 169.1
[M-H]- 270.13219 171.1
[M+NH4]+ 289.17329 180.6
[M+K]+ 310.10263 165.3
[M+H-H2O]+ 254.13673 155.4
[M+HCOO]- 316.13767 182.1
[M+CH3COO]- 330.15332 205.0
[M+Na-2H]- 292.11414 164.9
[M]+ 271.13892 166.1
[M]- 271.14002 166.1
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.