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 178.4
[M+Na]+ 337.18865 186.6
[M-H]- 313.19215 180.9
[M+NH4]+ 332.23325 194.8
[M+K]+ 353.16259 181.8
[M+H-H2O]+ 297.19669 170.1
[M+HCOO]- 359.19763 195.3
[M+CH3COO]- 373.21328 210.1
[M+Na-2H]- 335.17410 179.4
[M]+ 314.19888 182.5
[M]- 314.19998 182.5
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.