CID 3044008

3h-azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCOC(=O)N1CCC2=C(C3=CC=CC=C3N=C2CC1)C
InChI
InChI=1S/C17H20N2O2/c1-3-21-17(20)19-10-8-14-12(2)13-6-4-5-7-15(13)18-16(14)9-11-19/h4-7H,3,8-11H2,1-2H3
InChIKey
CMGDWQFRXJTBKK-UHFFFAOYSA-N
Compound name
ethyl 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.15247 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 164.8
[M+Na]+ 307.14169 176.3
[M+NH4]+ 302.18629 172.1
[M+K]+ 323.11563 170.6
[M-H]- 283.14519 166.5
[M+Na-2H]- 305.12714 169.4
[M]+ 284.15192 166.9
[M]- 284.15302 166.9
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