CID 155819330

2138260-75-8

Structural Information

Molecular Formula
C11H9BrN2O4
SMILES
CN1C(=O)C2=C(C=C(C=C2)Br)N(C1=O)CC(=O)O
InChI
InChI=1S/C11H9BrN2O4/c1-13-10(17)7-3-2-6(12)4-8(7)14(11(13)18)5-9(15)16/h2-4H,5H2,1H3,(H,15,16)
InChIKey
VXUDUBGUGYWIIZ-UHFFFAOYSA-N
Compound name
2-(7-bromo-3-methyl-2,4-dioxoquinazolin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.97458 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98186 152.4
[M+Na]+ 334.96380 166.9
[M-H]- 310.96730 156.9
[M+NH4]+ 330.00840 169.3
[M+K]+ 350.93774 155.2
[M+H-H2O]+ 294.97184 151.5
[M+HCOO]- 356.97278 169.9
[M+CH3COO]- 370.98843 200.0
[M+Na-2H]- 332.94925 158.9
[M]+ 311.97403 174.3
[M]- 311.97513 174.3
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.