CID 206774

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

Structural Information

Molecular Formula
C16H13N3
SMILES
C1CN=C(C2=C1C3=CC=CC=C3N2)C4=CC=NC=C4
InChI
InChI=1S/C16H13N3/c1-2-4-14-12(3-1)13-7-10-18-15(16(13)19-14)11-5-8-17-9-6-11/h1-6,8-9,19H,7,10H2
InChIKey
JYXAZVOJJWCIFF-UHFFFAOYSA-N
Compound name
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

247.11095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.118226 155.0
[M+Na]+ 270.100168 165.0
[M-H]- 246.103674 158.5
[M+NH4]+ 265.144773 171.1
[M+K]+ 286.074108 157.6
[M+H-H2O]+ 230.108210 145.4
[M+HCOO]- 292.109151 173.5
[M+CH3COO]- 306.124801 166.6
[M+Na-2H]- 268.085616 163.0
[M]+ 247.11040142 153.5
[M]- 247.11149858 153.5
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