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]+ 309.14198 170.6
[M+Na]+ 331.12392 180.5
[M-H]- 307.12742 174.3
[M+NH4]+ 326.16852 186.6
[M+K]+ 347.09786 171.9
[M+H-H2O]+ 291.13196 163.5
[M+HCOO]- 353.13290 182.1
[M+CH3COO]- 367.14855 181.0
[M+Na-2H]- 329.10937 172.1
[M]+ 308.13415 170.2
[M]- 308.13525 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.