CID 3043467

Jlb 11

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)O
InChI
InChI=1S/C11H10N2O4/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
BFVCBFCDCZVPGO-UHFFFAOYSA-N
Compound name
2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.06406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 146.1
[M+Na]+ 257.05328 157.6
[M-H]- 233.05678 147.8
[M+NH4]+ 252.09788 162.1
[M+K]+ 273.02722 154.2
[M+H-H2O]+ 217.06132 138.9
[M+HCOO]- 279.06226 166.0
[M+CH3COO]- 293.07791 189.4
[M+Na-2H]- 255.03873 152.1
[M]+ 234.06351 149.3
[M]- 234.06461 149.3
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