CID 33769

Indole, 2-((2-(dimethylamino)ethyl)thio)-1-methyl-, monohydrochloride

Structural Information

Molecular Formula
C13H18N2S
SMILES
CN1C2=CC=CC=C2C=C1SCCN(C)C
InChI
InChI=1S/C13H18N2S/c1-14(2)8-9-16-13-10-11-6-4-5-7-12(11)15(13)3/h4-7,10H,8-9H2,1-3H3
InChIKey
UIGNVAGQSOOBNV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-methylindol-2-yl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.126336 152.2
[M+Na]+ 257.108278 162.0
[M-H]- 233.111784 157.6
[M+NH4]+ 252.152883 173.4
[M+K]+ 273.082218 158.8
[M+H-H2O]+ 217.116320 145.5
[M+HCOO]- 279.117261 172.6
[M+CH3COO]- 293.132911 197.4
[M+Na-2H]- 255.093726 155.1
[M]+ 234.11851142 158.8
[M]- 234.11960858 158.8
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.