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-methylpyridin-3-yl)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]+ 364.23833 192.8
[M+Na]+ 386.22027 208.6
[M+NH4]+ 381.26487 201.0
[M+K]+ 402.19421 200.4
[M-H]- 362.22377 197.1
[M+Na-2H]- 384.20572 198.9
[M]+ 363.23050 196.5
[M]- 363.23160 196.5
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.