CID 21182

5-methylthio-3-(2-dimethylaminopropyl)indole

Structural Information

Molecular Formula
C14H20N2S
SMILES
CC(CC1=CNC2=C1C=C(C=C2)SC)N(C)C
InChI
InChI=1S/C14H20N2S/c1-10(16(2)3)7-11-9-15-14-6-5-12(17-4)8-13(11)14/h5-6,8-10,15H,7H2,1-4H3
InChIKey
YKQMBFQALWSRGC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-methylsulfanyl-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14200 157.2
[M+Na]+ 271.12394 165.8
[M-H]- 247.12744 161.1
[M+NH4]+ 266.16854 177.1
[M+K]+ 287.09788 161.9
[M+H-H2O]+ 231.13198 150.8
[M+HCOO]- 293.13292 174.7
[M+CH3COO]- 307.14857 198.6
[M+Na-2H]- 269.10939 158.2
[M]+ 248.13417 161.8
[M]- 248.13527 161.8
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

No patent data available for this compound.