CID 10750772

118621-07-1

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN1CC2=C(C=CC(=C2)C(=O)O)NC1=O
InChI
InChI=1S/C10H10N2O3/c1-12-5-7-4-6(9(13)14)2-3-8(7)11-10(12)15/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKey
BMCJSNCJNFZGMR-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,4-dihydroquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 143.1
[M+Na]+ 229.058358 151.6
[M-H]- 205.061864 142.4
[M+NH4]+ 224.102963 159.2
[M+K]+ 245.032298 147.9
[M+H-H2O]+ 189.066400 136.4
[M+HCOO]- 251.067341 158.6
[M+CH3COO]- 265.082991 181.8
[M+Na-2H]- 227.043806 147.9
[M]+ 206.06859142 140.1
[M]- 206.06968858 140.1
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

patents stripe