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]+ 235.12634 152.2
[M+Na]+ 257.10828 162.0
[M-H]- 233.11178 157.6
[M+NH4]+ 252.15288 173.4
[M+K]+ 273.08222 158.8
[M+H-H2O]+ 217.11632 145.5
[M+HCOO]- 279.11726 172.6
[M+CH3COO]- 293.13291 197.4
[M+Na-2H]- 255.09373 155.1
[M]+ 234.11851 158.8
[M]- 234.11961 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.