CID 3070518

86542-78-1

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)N=C(N(C2=O)C3=CC=CC=N3)C
InChI
InChI=1S/C17H15N3O3/c1-9-8-12-15(14(10(9)2)17(22)23)19-11(3)20(16(12)21)13-6-4-5-7-18-13/h4-8H,1-3H3,(H,22,23)
InChIKey
RIHQNZFROJSWQK-UHFFFAOYSA-N
Compound name
2,6,7-trimethyl-4-oxo-3-pyridin-2-ylquinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 172.4
[M+Na]+ 332.10055 189.0
[M+NH4]+ 327.14515 178.5
[M+K]+ 348.07449 182.4
[M-H]- 308.10405 174.8
[M+Na-2H]- 330.08600 179.3
[M]+ 309.11078 175.5
[M]- 309.11188 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.