CID 3066369

3h-pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(3-pyridinyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 163.6
[M+Na]+ 300.11074 173.9
[M-H]- 276.11424 167.4
[M+NH4]+ 295.15534 178.7
[M+K]+ 316.08468 166.9
[M+H-H2O]+ 260.11878 153.9
[M+HCOO]- 322.11972 181.9
[M+CH3COO]- 336.13537 174.9
[M+Na-2H]- 298.09619 170.3
[M]+ 277.12097 164.2
[M]- 277.12207 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

No patent data available for this compound.