CID 3061661

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

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C
InChI
InChI=1S/C13H17N3O/c1-3-17-10-5-6-12-11(9-10)14-13-15(2)7-4-8-16(12)13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
UECLMEKDCZMSQK-UHFFFAOYSA-N
Compound name
8-ethoxy-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

231.13716 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 152.9
[M+Na]+ 254.126378 163.1
[M-H]- 230.129884 154.5
[M+NH4]+ 249.170983 171.2
[M+K]+ 270.100318 158.9
[M+H-H2O]+ 214.134420 144.4
[M+HCOO]- 276.135361 171.3
[M+CH3COO]- 290.151011 165.1
[M+Na-2H]- 252.111826 158.9
[M]+ 231.13661142 155.1
[M]- 231.13770858 155.1
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.