CID 218284

1,2,3,4-tetrahydro-8-carboxy-2,2-dimethyl-5h-pyrido(4,3-b)indolium iodide ethylester

Structural Information

Molecular Formula
C16H21N2O2
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC3=C2C[N+](CC3)(C)C
InChI
InChI=1S/C16H20N2O2/c1-4-20-16(19)11-5-6-14-12(9-11)13-10-18(2,3)8-7-15(13)17-14/h5-6,9H,4,7-8,10H2,1-3H3/p+1
InChIKey
BMDMOSPOYIJEDJ-UHFFFAOYSA-O
Compound name
ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1603 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16758 161.6
[M+Na]+ 296.14952 176.4
[M+NH4]+ 291.19412 172.2
[M+K]+ 312.12346 169.8
[M-H]- 272.15302 164.5
[M+Na-2H]- 294.13497 167.8
[M]+ 273.15975 165.0
[M]- 273.16085 165.0
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

No patent data available for this compound.