CID 215970

5h-pyrido(4,3-b)indole-8-carboxylic acid, 1,2,3,4-tetrahydro-2-methyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C
InChI
InChI=1S/C15H18N2O2/c1-3-19-15(18)10-4-5-13-11(8-10)12-9-17(2)7-6-14(12)16-13/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKey
CLFWJTOJPVAQQX-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

258.13684 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.8
[M+Na]+ 281.126058 168.5
[M-H]- 257.129564 161.4
[M+NH4]+ 276.170663 177.6
[M+K]+ 297.099998 163.8
[M+H-H2O]+ 241.134100 152.4
[M+HCOO]- 303.135041 176.8
[M+CH3COO]- 317.150691 171.1
[M+Na-2H]- 279.111506 163.4
[M]+ 258.13629142 160.5
[M]- 258.13738858 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe