CID 4439325

3-(1-ethoxycarbonylmethyl-1,3,4,9-4h-beta-carbolin-2-yl)-propionic acid et ester

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CCOC(=O)CCN1CCC2=C(C1CC(=O)OCC)NC3=CC=CC=C23
InChI
InChI=1S/C20H26N2O4/c1-3-25-18(23)10-12-22-11-9-15-14-7-5-6-8-16(14)21-20(15)17(22)13-19(24)26-4-2/h5-8,17,21H,3-4,9-13H2,1-2H3
InChIKey
YMNHVMJTPSRVGW-UHFFFAOYSA-N
Compound name
ethyl 3-[1-(2-ethoxy-2-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.196546 187.4
[M+Na]+ 381.178488 193.3
[M-H]- 357.181994 188.0
[M+NH4]+ 376.223093 200.6
[M+K]+ 397.152428 188.8
[M+H-H2O]+ 341.186530 179.0
[M+HCOO]- 403.187471 202.0
[M+CH3COO]- 417.203121 213.1
[M+Na-2H]- 379.163936 187.5
[M]+ 358.18872142 191.1
[M]- 358.18981858 191.1
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.