CID 21730

Brn 0402795

Structural Information

Molecular Formula
C15H22N2S
SMILES
CC(C1=CNC2=C1C=C(C=C2)SC)C(C)N(C)C
InChI
InChI=1S/C15H22N2S/c1-10(11(2)17(3)4)14-9-16-15-7-6-12(18-5)8-13(14)15/h6-11,16H,1-5H3
InChIKey
ZVZWJJZLJXRJEQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.15036 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15764 162.1
[M+Na]+ 285.13958 169.8
[M-H]- 261.14308 165.8
[M+NH4]+ 280.18418 181.2
[M+K]+ 301.11352 166.2
[M+H-H2O]+ 245.14762 155.6
[M+HCOO]- 307.14856 178.1
[M+CH3COO]- 321.16421 202.5
[M+Na-2H]- 283.12503 161.5
[M]+ 262.14981 166.4
[M]- 262.15091 166.4
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.