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]+ 278.128796 163.6
[M+Na]+ 300.110738 173.9
[M-H]- 276.114244 167.4
[M+NH4]+ 295.155343 178.7
[M+K]+ 316.084678 166.9
[M+H-H2O]+ 260.118780 153.9
[M+HCOO]- 322.119721 181.9
[M+CH3COO]- 336.135371 174.9
[M+Na-2H]- 298.096186 170.3
[M]+ 277.12097142 164.2
[M]- 277.12206858 164.2
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