CID 2755916

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

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CC(=O)O
InChI
InChI=1S/C10H8N2O4/c13-8(14)5-12-9(15)6-3-1-2-4-7(6)11-10(12)16/h1-4H,5H2,(H,11,16)(H,13,14)
InChIKey
RQQGYSJFFRKGNY-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-1H-quinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

220.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 142.4
[M+Na]+ 243.03762 153.0
[M-H]- 219.04112 142.5
[M+NH4]+ 238.08222 158.0
[M+K]+ 259.01156 148.9
[M+H-H2O]+ 203.04566 135.5
[M+HCOO]- 265.04660 161.2
[M+CH3COO]- 279.06225 182.7
[M+Na-2H]- 241.02307 149.2
[M]+ 220.04785 143.0
[M]- 220.04895 143.0
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