CID 3061677

1-ethyl-8-methoxy-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole oxalate

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCN1CCCN2C1=NC3=C2C=CC(=C3)OC
InChI
InChI=1S/C13H17N3O/c1-3-15-7-4-8-16-12-6-5-10(17-2)9-11(12)14-13(15)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
ZFEMGRLXHGTNIX-UHFFFAOYSA-N
Compound name
1-ethyl-8-methoxy-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 152.5
[M+Na]+ 254.12638 166.7
[M+NH4]+ 249.17098 161.3
[M+K]+ 270.10032 160.9
[M-H]- 230.12988 154.2
[M+Na-2H]- 252.11183 157.7
[M]+ 231.13661 155.0
[M]- 231.13771 155.0
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.