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]+ 271.155346 160.9
[M+Na]+ 293.137288 171.5
[M-H]- 269.140794 160.7
[M+NH4]+ 288.181893 175.2
[M+K]+ 309.111228 164.8
[M+H-H2O]+ 253.145330 145.2
[M+HCOO]- 315.146271 174.2
[M+CH3COO]- 329.161921 170.2
[M+Na-2H]- 291.122736 164.4
[M]+ 270.14752142 157.4
[M]- 270.14861858 157.4
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.