CID 3061657

8-butoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCCCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C
InChI
InChI=1S/C15H21N3O/c1-3-4-10-19-12-6-7-14-13(11-12)16-15-17(2)8-5-9-18(14)15/h6-7,11H,3-5,8-10H2,1-2H3
InChIKey
ZXBGASTZHPXEKQ-UHFFFAOYSA-N
Compound name
8-butoxy-1-methyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 162.2
[M+Na]+ 282.15768 171.4
[M-H]- 258.16118 163.4
[M+NH4]+ 277.20228 179.3
[M+K]+ 298.13162 166.8
[M+H-H2O]+ 242.16572 153.2
[M+HCOO]- 304.16666 179.8
[M+CH3COO]- 318.18231 173.4
[M+Na-2H]- 280.14313 167.0
[M]+ 259.16791 165.0
[M]- 259.16901 165.0
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.