CID 49830944

1967-75-5

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

CCOC(=O)C1=CC2=C(C=C1)NC3=C2CCNC3=O

InChI

InChI=1S/C14H14N2O3/c1-2-19-14(18)8-3-4-11-10(7-8)9-5-6-15-13(17)12(9)16-11/h3-4,7,16H,2,5-6H2,1H3,(H,15,17)

InChIKey

BUMDIHXPDAJSFZ-UHFFFAOYSA-N

Compound name

ethyl 1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 258.10043 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.10771	157.8
[M+Na]+	281.08965	169.6
[M+NH4]+	276.13425	164.6
[M+K]+	297.06359	165.7
[M-H]-	257.09315	157.5
[M+Na-2H]-	279.07510	160.5
[M]+	258.09988	159.0
[M]-	258.10098	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe