CID 3047246

2-methyl-11-oxo-11h-pyrido(2,1-b)quinazoline-8-carboxylic acid

Structural Information

Molecular Formula
C14H10N2O3
SMILES
CC1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)O
InChI
InChI=1S/C14H10N2O3/c1-8-2-4-11-10(6-8)13(17)16-7-9(14(18)19)3-5-12(16)15-11/h2-7H,1H3,(H,18,19)
InChIKey
JWAVEEBWRNQONY-UHFFFAOYSA-N
Compound name
2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

254.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.076416 153.4
[M+Na]+ 277.058358 165.6
[M-H]- 253.061864 156.2
[M+NH4]+ 272.102963 169.5
[M+K]+ 293.032298 160.6
[M+H-H2O]+ 237.066400 145.4
[M+HCOO]- 299.067341 172.9
[M+CH3COO]- 313.082991 166.1
[M+Na-2H]- 275.043806 161.8
[M]+ 254.06859142 156.9
[M]- 254.06968858 156.9
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

patents stripe