CID 12267402

2-(2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1=CC=C2C(=C1)C(NC(=O)N2)CC(=O)O
InChI
InChI=1S/C10H10N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)11-10(15)12-8/h1-4,8H,5H2,(H,13,14)(H2,11,12,15)
InChIKey
FFXKXXOWFIBZCI-UHFFFAOYSA-N
Compound name
2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 143.7
[M+Na]+ 229.05836 150.8
[M-H]- 205.06186 141.2
[M+NH4]+ 224.10296 158.7
[M+K]+ 245.03230 146.2
[M+H-H2O]+ 189.06640 137.0
[M+HCOO]- 251.06734 157.7
[M+CH3COO]- 265.08299 178.2
[M+Na-2H]- 227.04381 148.7
[M]+ 206.06859 138.5
[M]- 206.06969 138.5
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

No patent data available for this compound.