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

25
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 176.0
[M+Na]+ 344.13696 183.6
[M-H]- 320.14046 177.9
[M+NH4]+ 339.18156 188.3
[M+K]+ 360.11090 176.4
[M+H-H2O]+ 304.14500 166.4
[M+HCOO]- 366.14594 190.0
[M+CH3COO]- 380.16159 184.9
[M+Na-2H]- 342.12241 179.3
[M]+ 321.14719 174.1
[M]- 321.14829 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