CID 30217

20674-91-3

Structural Information

Molecular Formula
C20H23N3
SMILES
CC1CC2=C(CN1)C3=C(C=CC=C3N2)CCC4=CN=C(C=C4)C
InChI
InChI=1S/C20H23N3/c1-13-6-7-15(11-21-13)8-9-16-4-3-5-18-20(16)17-12-22-14(2)10-19(17)23-18/h3-7,11,14,22-23H,8-10,12H2,1-2H3
InChIKey
CBHKORLHJIYAKT-UHFFFAOYSA-N
Compound name
3-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.196476 176.0
[M+Na]+ 328.178418 184.5
[M-H]- 304.181924 177.9
[M+NH4]+ 323.223023 189.6
[M+K]+ 344.152358 175.7
[M+H-H2O]+ 288.186460 166.4
[M+HCOO]- 350.187401 190.1
[M+CH3COO]- 364.203051 185.2
[M+Na-2H]- 326.163866 178.8
[M]+ 305.18865142 173.4
[M]- 305.18974858 173.4
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.