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

33
Patents

321.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 176.0
[M+Na]+ 344.136958 183.6
[M-H]- 320.140464 177.9
[M+NH4]+ 339.181563 188.3
[M+K]+ 360.110898 176.4
[M+H-H2O]+ 304.145000 166.4
[M+HCOO]- 366.145941 190.0
[M+CH3COO]- 380.161591 184.9
[M+Na-2H]- 342.122406 179.3
[M]+ 321.14719142 174.1
[M]- 321.14828858 174.1
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