CID 10264356

2,5-dimethoxy-4-ethylthioamphetamine

Structural Information

Molecular Formula
C13H21NO2S
SMILES
CCSC1=C(C=C(C(=C1)OC)CC(C)N)OC
InChI
InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey
MCYCODJKXUJSAT-UHFFFAOYSA-N
Compound name
1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

271
Patents

255.1293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.136576 158.6
[M+Na]+ 278.118518 165.6
[M-H]- 254.122024 161.9
[M+NH4]+ 273.163123 176.2
[M+K]+ 294.092458 162.7
[M+H-H2O]+ 238.126560 151.9
[M+HCOO]- 300.127501 176.1
[M+CH3COO]- 314.143151 199.7
[M+Na-2H]- 276.103966 157.6
[M]+ 255.12875142 163.6
[M]- 255.12984858 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe