CID 365583

Nsc633382

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

CCOC(=O)C1=NC=C2C(=C1)C3=C(C=CC=C3N2)N

InChI

InChI=1S/C14H13N3O2/c1-2-19-14(18)11-6-8-12(7-16-11)17-10-5-3-4-9(15)13(8)10/h3-7,17H,2,15H2,1H3

InChIKey

MTMKKQZHXHWHCI-UHFFFAOYSA-N

Compound name

ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.10077 Da
Monoisotopic Mass: 2.2
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]+	256.108046	156.2
[M+Na]+	278.089988	166.5
[M-H]-	254.093494	158.3
[M+NH4]+	273.134593	173.6
[M+K]+	294.063928	161.4
[M+H-H2O]+	238.098030	148.8
[M+HCOO]-	300.098971	176.8
[M+CH3COO]-	314.114621	168.3
[M+Na-2H]-	276.075436	162.1
[M]+	255.10022142	157.8
[M]-	255.10131858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe