CID 199602

Brn 0823296

Structural Information

Molecular Formula
C17H15N3O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCN=C3C4=CC=NC=C4
InChI
InChI=1S/C17H15N3O/c1-21-12-2-3-15-14(10-12)13-6-9-19-16(17(13)20-15)11-4-7-18-8-5-11/h2-5,7-8,10,20H,6,9H2,1H3
InChIKey
ASGRFXYHQTZSQW-UHFFFAOYSA-N
Compound name
6-methoxy-1-pyridin-4-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.12152 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 164.2
[M+Na]+ 300.11074 180.9
[M+NH4]+ 295.15534 173.2
[M+K]+ 316.08468 173.8
[M-H]- 276.11424 168.3
[M+Na-2H]- 298.09619 172.7
[M]+ 277.12097 167.9
[M]- 277.12207 167.9
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

patents stripe