CID 395848

Nsc700851

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CCN1C=C(C2=NC3=CC=CC=C3N2C1=O)C(=O)OCC
InChI
InChI=1S/C15H15N3O3/c1-3-17-9-10(14(19)21-4-2)13-16-11-7-5-6-8-12(11)18(13)15(17)20/h5-9H,3-4H2,1-2H3
InChIKey
OLRRPAZFIHMFEI-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-1-oxopyrimido[1,6-a]benzimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.5
[M+Na]+ 308.10055 176.6
[M-H]- 284.10405 167.2
[M+NH4]+ 303.14515 180.6
[M+K]+ 324.07449 172.1
[M+H-H2O]+ 268.10859 156.0
[M+HCOO]- 330.10953 184.7
[M+CH3COO]- 344.12518 201.8
[M+Na-2H]- 306.08600 169.7
[M]+ 285.11078 171.4
[M]- 285.11188 171.4
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.