CID 199649

Brn 0894664

Structural Information

Molecular Formula
C17H17N3O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CC=CC=N4
InChI
InChI=1S/C17H17N3O/c1-21-11-5-6-14-13(10-11)12-7-9-19-17(16(12)20-14)15-4-2-3-8-18-15/h2-6,8,10,17,19-20H,7,9H2,1H3
InChIKey
HUTJNANBGXTQMU-UHFFFAOYSA-N
Compound name
6-methoxy-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 164.5
[M+Na]+ 302.126398 173.3
[M-H]- 278.129904 166.6
[M+NH4]+ 297.171003 178.8
[M+K]+ 318.100338 165.8
[M+H-H2O]+ 262.134440 155.1
[M+HCOO]- 324.135381 179.9
[M+CH3COO]- 338.151031 174.6
[M+Na-2H]- 300.111846 169.9
[M]+ 279.13663142 161.9
[M]- 279.13772858 161.9
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

No patent data available for this compound.