CID 55139

Unii-87f98555ka

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₃

SMILES

CCOC(=O)N1CCC(=CC1)N2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C15H17N3O3/c1-2-21-15(20)17-9-7-11(8-10-17)18-13-6-4-3-5-12(13)16-14(18)19/h3-7H,2,8-10H2,1H3,(H,16,19)

InChIKey

ZDMLTXBNJOAXBY-UHFFFAOYSA-N

Compound name

ethyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.12698 Da
Monoisotopic Mass: 1.3
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]+	288.134256	165.4
[M+Na]+	310.116198	174.2
[M-H]-	286.119704	168.1
[M+NH4]+	305.160803	179.1
[M+K]+	326.090138	169.4
[M+H-H2O]+	270.124240	156.3
[M+HCOO]-	332.125181	183.0
[M+CH3COO]-	346.140831	176.1
[M+Na-2H]-	308.101646	168.4
[M]+	287.12643142	165.8
[M]-	287.12752858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.