CID 218280

40431-44-5

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCCCN1C2=C(CN(CC2)C)C3=C1C=CC(=C3)C(=O)OCC
InChI
InChI=1S/C19H26N2O2/c1-4-6-10-21-17-8-7-14(19(22)23-5-2)12-15(17)16-13-20(3)11-9-18(16)21/h7-8,12H,4-6,9-11,13H2,1-3H3
InChIKey
XXSWDZZXBRTVNV-UHFFFAOYSA-N
Compound name
ethyl 5-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.2
[M+Na]+ 337.18865 189.9
[M+NH4]+ 332.23325 184.8
[M+K]+ 353.16259 183.9
[M-H]- 313.19215 178.6
[M+Na-2H]- 335.17410 180.2
[M]+ 314.19888 179.3
[M]- 314.19998 179.3
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

No patent data available for this compound.