CID 1187508

67305-46-8

Structural Information

Molecular Formula
C10H7BrN2O3
SMILES
C1=CC2=C(C=C1Br)C(=O)N(C=N2)CC(=O)O
InChI
InChI=1S/C10H7BrN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15)
InChIKey
SYPRKLOBQRRYFI-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

281.964 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.97128 147.4
[M+Na]+ 304.95322 160.7
[M-H]- 280.95672 151.4
[M+NH4]+ 299.99782 165.1
[M+K]+ 320.92716 149.1
[M+H-H2O]+ 264.96126 146.6
[M+HCOO]- 326.96220 165.1
[M+CH3COO]- 340.97785 193.4
[M+Na-2H]- 302.93867 155.7
[M]+ 281.96345 167.6
[M]- 281.96455 167.6
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