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]+ 264.149516 161.5
[M+Na]+ 286.131458 170.6
[M-H]- 262.134964 163.6
[M+NH4]+ 281.176063 176.6
[M+K]+ 302.105398 162.4
[M+H-H2O]+ 246.139500 152.3
[M+HCOO]- 308.140441 176.8
[M+CH3COO]- 322.156091 171.8
[M+Na-2H]- 284.116906 166.8
[M]+ 263.14169142 157.6
[M]- 263.14278858 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.