CID 206803

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

Structural Information

Molecular Formula
C17H17N3
SMILES
CN1C2=CC=CC=C2C3=C1C(NCC3)C4=CN=CC=C4
InChI
InChI=1S/C17H17N3/c1-20-15-7-3-2-6-13(15)14-8-10-19-16(17(14)20)12-5-4-9-18-11-12/h2-7,9,11,16,19H,8,10H2,1H3
InChIKey
BIGAUSZMPUKMKV-UHFFFAOYSA-N
Compound name
9-methyl-1-pyridin-3-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.149516 161.7
[M+Na]+ 286.131458 171.1
[M-H]- 262.134964 165.0
[M+NH4]+ 281.176063 177.4
[M+K]+ 302.105398 163.7
[M+H-H2O]+ 246.139500 152.0
[M+HCOO]- 308.140441 178.3
[M+CH3COO]- 322.156091 172.6
[M+Na-2H]- 284.116906 167.3
[M]+ 263.14169142 159.4
[M]- 263.14278858 159.4
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.