CID 3088786

119377-08-1

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCOC(=O)C1CC2=C(C(N1)C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C19H19N3O2/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/h3-9,11,16-17,21-22H,2,10H2,1H3
InChIKey
ZFLNWCZNOYUZFZ-UHFFFAOYSA-N
Compound name
ethyl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

321.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.8
[M+Na]+ 344.13696 190.8
[M+NH4]+ 339.18156 184.1
[M+K]+ 360.11090 185.1
[M-H]- 320.14046 179.3
[M+Na-2H]- 342.12241 182.5
[M]+ 321.14719 179.4
[M]- 321.14829 179.4
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