CID 39830

50840-28-3

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCOC(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H15N3O3/c1-12-19-15-7-3-2-6-14(15)16(21)20(12)9-10-23-17(22)13-5-4-8-18-11-13/h2-8,11H,9-10H2,1H3
InChIKey
MTZBXYYMEHRFCZ-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl pyridine-3-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 171.8
[M+Na]+ 332.10055 181.1
[M-H]- 308.10405 175.5
[M+NH4]+ 327.14515 183.1
[M+K]+ 348.07449 176.1
[M+H-H2O]+ 292.10859 161.0
[M+HCOO]- 354.10953 190.5
[M+CH3COO]- 368.12518 205.2
[M+Na-2H]- 330.08600 178.1
[M]+ 309.11078 175.1
[M]- 309.11188 175.1
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.