CID 202946

6-methylthio-3-methyl-1-phenyl-1,2,3,4-tetrahydro-beta-carboline hydrochloride

Structural Information

Molecular Formula
C19H20N2S
SMILES
CC1CC2=C(C(N1)C3=CC=CC=C3)NC4=C2C=C(C=C4)SC
InChI
InChI=1S/C19H20N2S/c1-12-10-16-15-11-14(22-2)8-9-17(15)21-19(16)18(20-12)13-6-4-3-5-7-13/h3-9,11-12,18,20-21H,10H2,1-2H3
InChIKey
KBDKTBCEWDYRMQ-UHFFFAOYSA-N
Compound name
3-methyl-6-methylsulfanyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1347 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.141976 170.6
[M+Na]+ 331.123918 180.5
[M-H]- 307.127424 174.3
[M+NH4]+ 326.168523 186.6
[M+K]+ 347.097858 171.9
[M+H-H2O]+ 291.131960 163.5
[M+HCOO]- 353.132901 182.1
[M+CH3COO]- 367.148551 181.0
[M+Na-2H]- 329.109366 172.1
[M]+ 308.13415142 170.2
[M]- 308.13524858 170.2
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.