CID 3061645

79513-52-3

Structural Information

Molecular Formula

C₁₅H₂₀N₄O₂

SMILES

CC(CN1CCCN2C1=NC3=C2C=CC(=C3)OC)C(=O)N

InChI

InChI=1S/C15H20N4O2/c1-10(14(16)20)9-18-6-3-7-19-13-5-4-11(21-2)8-12(13)17-15(18)19/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,16,20)

InChIKey

KSSIFJFYDJMEGT-UHFFFAOYSA-N

Compound name

3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.15863 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]+	289.165906	167.6
[M+Na]+	311.147848	175.4
[M-H]-	287.151354	168.6
[M+NH4]+	306.192453	182.6
[M+K]+	327.121788	171.6
[M+H-H2O]+	271.155890	158.9
[M+HCOO]-	333.156831	184.1
[M+CH3COO]-	347.172481	205.8
[M+Na-2H]-	309.133296	170.2
[M]+	288.15808142	168.5
[M]-	288.15917858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.