CID 827372

N,n-diethyl-2-(phenylthio)benzylamine maleate

Structural Information

Molecular Formula
C17H21NS
SMILES
CCN(CC)CC1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C17H21NS/c1-3-18(4-2)14-15-10-8-9-13-17(15)19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3
InChIKey
LWRSLWDTFYXZRF-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
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 163.1
[M+Na]+ 294.12869 169.1
[M-H]- 270.13219 170.8
[M+NH4]+ 289.17329 180.4
[M+K]+ 310.10263 164.8
[M+H-H2O]+ 254.13673 155.0
[M+HCOO]- 316.13767 182.9
[M+CH3COO]- 330.15332 204.1
[M+Na-2H]- 292.11414 165.6
[M]+ 271.13892 166.4
[M]- 271.14002 166.4
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.