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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 155.6
[M+Na]+ 279.12164 166.9
[M-H]- 255.12514 155.4
[M+NH4]+ 274.16624 170.5
[M+K]+ 295.09558 160.0
[M+H-H2O]+ 239.12968 139.9
[M+HCOO]- 301.13062 170.1
[M+CH3COO]- 315.14627 165.5
[M+Na-2H]- 277.10709 160.6
[M]+ 256.13187 152.4
[M]- 256.13297 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.