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 160.9
[M+Na]+ 293.13729 171.5
[M-H]- 269.14079 160.7
[M+NH4]+ 288.18189 175.2
[M+K]+ 309.11123 164.8
[M+H-H2O]+ 253.14533 145.2
[M+HCOO]- 315.14627 174.2
[M+CH3COO]- 329.16192 170.2
[M+Na-2H]- 291.12274 164.4
[M]+ 270.14752 157.4
[M]- 270.14862 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.