CID 3087497

Brn 4557154

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CCOC(=O)N1CCC2=C(C1C3=CC=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C20H20N2O2/c1-2-24-20(23)22-13-12-16-15-10-6-7-11-17(15)21-18(16)19(22)14-8-4-3-5-9-14/h3-11,19,21H,2,12-13H2,1H3
InChIKey
ZOVYGEMJOAMYAF-UHFFFAOYSA-N
Compound name
ethyl 1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.4
[M+Na]+ 343.14169 184.1
[M-H]- 319.14519 180.9
[M+NH4]+ 338.18629 191.0
[M+K]+ 359.11563 177.7
[M+H-H2O]+ 303.14973 167.1
[M+HCOO]- 365.15067 192.9
[M+CH3COO]- 379.16632 186.4
[M+Na-2H]- 341.12714 179.5
[M]+ 320.15192 176.0
[M]- 320.15302 176.0
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