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 173.0
[M+Na]+ 349.07949 182.8
[M-H]- 325.08299 176.3
[M+NH4]+ 344.12409 184.0
[M+K]+ 365.05343 178.2
[M+H-H2O]+ 309.08753 163.8
[M+HCOO]- 371.08847 190.5
[M+CH3COO]- 385.10412 205.5
[M+Na-2H]- 347.06494 177.2
[M]+ 326.08972 176.2
[M]- 326.09082 176.2
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