CID 202948

6-methylthio-1-(3,4,5-trimethoxyphenyl)-3-methyl-1,2,3,4-tetrahydro-beta-carboline hcl

Structural Information

Molecular Formula
C22H26N2O3S
SMILES
CC1CC2=C(C(N1)C3=CC(=C(C(=C3)OC)OC)OC)NC4=C2C=C(C=C4)SC
InChI
InChI=1S/C22H26N2O3S/c1-12-8-16-15-11-14(28-5)6-7-17(15)24-21(16)20(23-12)13-9-18(25-2)22(27-4)19(10-13)26-3/h6-7,9-12,20,23-24H,8H2,1-5H3
InChIKey
UCAYJZVWDXNGPB-UHFFFAOYSA-N
Compound name
3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-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

398.1664 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17368 196.8
[M+Na]+ 421.15562 211.2
[M+NH4]+ 416.20022 204.6
[M+K]+ 437.12956 203.0
[M-H]- 397.15912 200.4
[M+Na-2H]- 419.14107 200.8
[M]+ 398.16585 200.5
[M]- 398.16695 200.5
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.