CID 3061668

Brn 5604981

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₃

SMILES

CCN1CCCN2C1=NC3=C2C=CC(=C3)OC(C)C(=O)O

InChI

InChI=1S/C15H19N3O3/c1-3-17-7-4-8-18-13-6-5-11(21-10(2)14(19)20)9-12(13)16-15(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)

InChIKey

DJRCMBXYVPFWHL-UHFFFAOYSA-N

Compound name

2-[(1-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-8-yl)oxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.14264 Da
Monoisotopic Mass: 2.3
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]+	290.149916	167.1
[M+Na]+	312.131858	175.1
[M-H]-	288.135364	167.2
[M+NH4]+	307.176463	181.8
[M+K]+	328.105798	171.4
[M+H-H2O]+	272.139900	158.8
[M+HCOO]-	334.140841	181.7
[M+CH3COO]-	348.156491	201.1
[M+Na-2H]-	310.117306	169.6
[M]+	289.14209142	169.1
[M]-	289.14318858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.