CID 9118367

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

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)N2CC(=O)O
InChI
InChI=1S/C10H8N2O4/c13-8(14)5-12-7-4-2-1-3-6(7)9(15)11-10(12)16/h1-4H,5H2,(H,13,14)(H,11,15,16)
InChIKey
MLQXNJCIGWKSPF-UHFFFAOYSA-N
Compound name
2-(2,4-dioxoquinazolin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

220.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 142.4
[M+Na]+ 243.037618 153.0
[M-H]- 219.041124 142.5
[M+NH4]+ 238.082223 158.0
[M+K]+ 259.011558 148.9
[M+H-H2O]+ 203.045660 135.5
[M+HCOO]- 265.046601 161.2
[M+CH3COO]- 279.062251 182.7
[M+Na-2H]- 241.023066 149.2
[M]+ 220.04785142 143.0
[M]- 220.04894858 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