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 163.7
[M+Na]+ 296.14952 172.7
[M-H]- 272.15302 165.7
[M+NH4]+ 291.19412 182.8
[M+K]+ 312.12346 162.2
[M+H-H2O]+ 256.15756 159.2
[M+HCOO]- 318.15850 179.8
[M+CH3COO]- 332.17415 190.0
[M+Na-2H]- 294.13497 170.4
[M]+ 273.15975 163.2
[M]- 273.16085 163.2
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.