CID 202950

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

Structural Information

Molecular Formula
C18H18N2
SMILES
CC1CC2=C(C(N1)C3=CC=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C18H18N2/c1-12-11-15-14-9-5-6-10-16(14)20-18(15)17(19-12)13-7-3-2-4-8-13/h2-10,12,17,19-20H,11H2,1H3
InChIKey
FJEMYUADGDOQMH-UHFFFAOYSA-N
Compound name
3-methyl-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

262.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 161.0
[M+Na]+ 285.136218 169.6
[M-H]- 261.139724 164.3
[M+NH4]+ 280.180823 177.5
[M+K]+ 301.110158 161.4
[M+H-H2O]+ 245.144260 152.5
[M+HCOO]- 307.145201 177.3
[M+CH3COO]- 321.160851 171.6
[M+Na-2H]- 283.121666 165.9
[M]+ 262.14645142 156.9
[M]- 262.14754858 156.9
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.