CID 3061643

79513-50-1

Structural Information

Molecular Formula
C15H18N4O
SMILES
CC(CN1CCCN2C1=NC3=C2C=CC(=C3)OC)C#N
InChI
InChI=1S/C15H18N4O/c1-11(9-16)10-18-6-3-7-19-14-5-4-12(20-2)8-13(14)17-15(18)19/h4-5,8,11H,3,6-7,10H2,1-2H3
InChIKey
BYFWSPJVXSKWOH-UHFFFAOYSA-N
Compound name
3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 166.1
[M+Na]+ 293.13729 178.5
[M+NH4]+ 288.18189 170.4
[M+K]+ 309.11123 169.9
[M-H]- 269.14079 159.8
[M+Na-2H]- 291.12274 167.5
[M]+ 270.14752 165.2
[M]- 270.14862 165.2
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.