CID 475064

Nsc685481

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CCOC(=O)C1=CN2C3CCCCC3NC2=NC1=O
InChI
InChI=1S/C13H17N3O3/c1-2-19-12(18)8-7-16-10-6-4-3-5-9(10)14-13(16)15-11(8)17/h7,9-10H,2-6H2,1H3,(H,14,15,17)
InChIKey
ZKGBYHFBCUEAFR-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-6,7,8,9,9a,10-hexahydro-5aH-pyrimido[1,2-a]benzimidazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 159.9
[M+Na]+ 286.11620 167.5
[M-H]- 262.11970 159.5
[M+NH4]+ 281.16080 175.6
[M+K]+ 302.09014 163.5
[M+H-H2O]+ 246.12424 151.8
[M+HCOO]- 308.12518 173.6
[M+CH3COO]- 322.14083 193.6
[M+Na-2H]- 284.10165 162.5
[M]+ 263.12643 158.3
[M]- 263.12753 158.3
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.