CID 209876

20675-03-0

Structural Information

Molecular Formula
C25H31N3
SMILES
CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)C4CCCCC4)C5=CC=CC=C52
InChI
InChI=1S/C25H31N3/c1-19-11-12-20(17-26-19)13-16-28-24-10-6-5-9-22(24)23-18-27(15-14-25(23)28)21-7-3-2-4-8-21/h5-6,9-12,17,21H,2-4,7-8,13-16,18H2,1H3
InChIKey
ZTMIHMWNFKJYPO-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2518 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25908 196.3
[M+Na]+ 396.24102 212.0
[M+NH4]+ 391.28562 205.8
[M+K]+ 412.21496 202.8
[M-H]- 372.24452 203.2
[M+Na-2H]- 394.22647 203.9
[M]+ 373.25125 200.7
[M]- 373.25235 200.7
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.