CID 209926

20771-46-4

Structural Information

Molecular Formula
C23H29N3O
SMILES
CCCN1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)OC
InChI
InChI=1S/C23H29N3O/c1-4-11-25-12-10-23-21(16-25)20-14-19(27-3)7-8-22(20)26(23)13-9-18-6-5-17(2)24-15-18/h5-8,14-15H,4,9-13,16H2,1-3H3
InChIKey
XKGGCZQAKQIYMW-UHFFFAOYSA-N
Compound name
8-methoxy-5-[2-(6-methyl-3-pyridinyl)ethyl]-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.238326 193.8
[M+Na]+ 386.220268 202.4
[M-H]- 362.223774 198.0
[M+NH4]+ 381.264873 206.5
[M+K]+ 402.194208 195.1
[M+H-H2O]+ 346.228310 182.7
[M+HCOO]- 408.229251 209.8
[M+CH3COO]- 422.244901 203.0
[M+Na-2H]- 384.205716 194.8
[M]+ 363.23050142 197.3
[M]- 363.23159858 197.3
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.