CID 3061647

79513-54-5

Structural Information

Molecular Formula

C₁₄H₁₆N₄O

SMILES

COC1=CC2=C(C=C1)N3CCCN(C3=N2)CCC#N

InChI

InChI=1S/C14H16N4O/c1-19-11-4-5-13-12(10-11)16-14-17(7-2-6-15)8-3-9-18(13)14/h4-5,10H,2-3,7-9H2,1H3

InChIKey

FAZBZSZPNGOQHC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.13242 Da
Monoisotopic Mass: 1.6
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]+	257.139696	155.6
[M+Na]+	279.121638	166.9
[M-H]-	255.125144	155.4
[M+NH4]+	274.166243	170.5
[M+K]+	295.095578	160.0
[M+H-H2O]+	239.129680	139.9
[M+HCOO]-	301.130621	170.1
[M+CH3COO]-	315.146271	165.5
[M+Na-2H]-	277.107086	160.6
[M]+	256.13187142	152.4
[M]-	256.13296858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.