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

3
Patents

232.10342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 147.2
[M+Na]+ 255.09264 156.0
[M-H]- 231.09614 150.1
[M+NH4]+ 250.13724 167.9
[M+K]+ 271.06658 150.3
[M+H-H2O]+ 215.10068 141.4
[M+HCOO]- 277.10162 162.9
[M+CH3COO]- 291.11727 159.4
[M+Na-2H]- 253.07809 152.1
[M]+ 232.10287 147.1
[M]- 232.10397 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