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]+ 232.14444 152.9
[M+Na]+ 254.12638 163.1
[M-H]- 230.12988 154.5
[M+NH4]+ 249.17098 171.2
[M+K]+ 270.10032 158.9
[M+H-H2O]+ 214.13442 144.4
[M+HCOO]- 276.13536 171.3
[M+CH3COO]- 290.15101 165.1
[M+Na-2H]- 252.11183 158.9
[M]+ 231.13661 155.1
[M]- 231.13771 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.