CID 5749115

Brn 4265921

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CN=CC=C4
InChI
InChI=1S/C19H15N3O2/c1-2-24-19(23)16-10-14-13-7-3-4-8-15(13)21-18(14)17(22-16)12-6-5-9-20-11-12/h3-11,21H,2H2,1H3
InChIKey
UEIWOYFJYQFQQA-UHFFFAOYSA-N
Compound name
ethyl 1-pyridin-3-yl-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.11642 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 174.3
[M+Na]+ 340.10564 190.7
[M+NH4]+ 335.15024 182.0
[M+K]+ 356.07958 184.2
[M-H]- 316.10914 177.7
[M+Na-2H]- 338.09109 182.3
[M]+ 317.11587 177.7
[M]- 317.11697 177.7
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