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]+ 263.15428 161.0
[M+Na]+ 285.13622 169.6
[M-H]- 261.13972 164.3
[M+NH4]+ 280.18082 177.5
[M+K]+ 301.11016 161.4
[M+H-H2O]+ 245.14426 152.5
[M+HCOO]- 307.14520 177.3
[M+CH3COO]- 321.16085 171.6
[M+Na-2H]- 283.12167 165.9
[M]+ 262.14645 156.9
[M]- 262.14755 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.