CID 135417407

68274-49-7

Structural Information

Molecular Formula
C17H14N2O5
SMILES
COC1=CC=CC(=C1OC)C2=NC3=C(C=C(C=C3)C(=O)O)C(=O)N2
InChI
InChI=1S/C17H14N2O5/c1-23-13-5-3-4-10(14(13)24-2)15-18-12-7-6-9(17(21)22)8-11(12)16(20)19-15/h3-8H,1-2H3,(H,21,22)(H,18,19,20)
InChIKey
KVAHIUQNAMUQKY-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenyl)-4-oxo-3H-quinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

326.09027 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09755 173.9
[M+Na]+ 349.07949 188.8
[M+NH4]+ 344.12409 179.4
[M+K]+ 365.05343 183.2
[M-H]- 325.08299 175.6
[M+Na-2H]- 347.06494 180.1
[M]+ 326.08972 176.4
[M]- 326.09082 176.4
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

patents stripe