CID 21181

Indole, 3-(2-methylaminopropyl)-5-methylthio-

Structural Information

Molecular Formula
C13H18N2S
SMILES
CC(CC1=CNC2=C1C=C(C=C2)SC)NC
InChI
InChI=1S/C13H18N2S/c1-9(14-2)6-10-8-15-13-5-4-11(16-3)7-12(10)13/h4-5,7-9,14-15H,6H2,1-3H3
InChIKey
BQBRWLOYDUVQLW-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-methylsulfanyl-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.126336 152.0
[M+Na]+ 257.108278 161.0
[M-H]- 233.111784 154.6
[M+NH4]+ 252.152883 171.8
[M+K]+ 273.082218 155.9
[M+H-H2O]+ 217.116320 146.0
[M+HCOO]- 279.117261 169.5
[M+CH3COO]- 293.132911 192.2
[M+Na-2H]- 255.093726 154.3
[M]+ 234.11851142 155.0
[M]- 234.11960858 155.0
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.