CID 218493

2,3,4,9-tetrahydro-3-methyl-1-(4-pyridinyl)-1h-pyrido(3,4-b)indole hydrochloride

Structural Information

Molecular Formula
C17H17N3
SMILES
CC1CC2=C(C(N1)C3=CC=NC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C17H17N3/c1-11-10-14-13-4-2-3-5-15(13)20-17(14)16(19-11)12-6-8-18-9-7-12/h2-9,11,16,19-20H,10H2,1H3
InChIKey
RZXSAVVTUCXNRV-UHFFFAOYSA-N
Compound name
3-methyl-1-pyridin-4-yl-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

263.14224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 161.5
[M+Na]+ 286.13146 170.6
[M-H]- 262.13496 163.6
[M+NH4]+ 281.17606 176.6
[M+K]+ 302.10540 162.4
[M+H-H2O]+ 246.13950 152.3
[M+HCOO]- 308.14044 176.8
[M+CH3COO]- 322.15609 171.8
[M+Na-2H]- 284.11691 166.8
[M]+ 263.14169 157.6
[M]- 263.14279 157.6
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.