CID 3056096

N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine hydrochloride

Structural Information

Molecular Formula
C13H16N2S
SMILES
CNCC1CCSC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C13H16N2S/c1-14-8-9-6-7-16-13-12(9)10-4-2-3-5-11(10)15-13/h2-5,9,14-15H,6-8H2,1H3
InChIKey
LTBVLHAAMAESBU-UHFFFAOYSA-N
Compound name
N-methyl-1-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.10342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 147.2
[M+Na]+ 255.092638 156.0
[M-H]- 231.096144 150.1
[M+NH4]+ 250.137243 167.9
[M+K]+ 271.066578 150.3
[M+H-H2O]+ 215.100680 141.4
[M+HCOO]- 277.101621 162.9
[M+CH3COO]- 291.117271 159.4
[M+Na-2H]- 253.078086 152.1
[M]+ 232.10287142 147.1
[M]- 232.10396858 147.1
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

patents stripe