CID 39829

50840-27-2

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCOC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H15N3O3/c1-12-19-15-5-3-2-4-14(15)16(21)20(12)10-11-23-17(22)13-6-8-18-9-7-13/h2-9H,10-11H2,1H3
InChIKey
UEZISRURWKIUEA-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11133 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 171.0
[M+Na]+ 332.10055 187.0
[M+NH4]+ 327.14515 177.4
[M+K]+ 348.07449 179.5
[M-H]- 308.10405 173.6
[M+Na-2H]- 330.08600 179.3
[M]+ 309.11078 174.0
[M]- 309.11188 174.0
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.