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]+ 260.175736 162.2
[M+Na]+ 282.157678 171.4
[M-H]- 258.161184 163.4
[M+NH4]+ 277.202283 179.3
[M+K]+ 298.131618 166.8
[M+H-H2O]+ 242.165720 153.2
[M+HCOO]- 304.166661 179.8
[M+CH3COO]- 318.182311 173.4
[M+Na-2H]- 280.143126 167.0
[M]+ 259.16791142 165.0
[M]- 259.16900858 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.