CID 71695404

1369318-81-9

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1C2=C(N=CN2C3=CC=CC=C3O1)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-11(15)10-8-5-16-9-4-2-1-3-7(9)13(8)6-12-10/h1-4,6H,5H2,(H,14,15)
InChIKey
WYZNXVXSPMXJFX-UHFFFAOYSA-N
Compound name
4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 142.8
[M+Na]+ 239.042718 152.4
[M-H]- 215.046224 145.3
[M+NH4]+ 234.087323 160.5
[M+K]+ 255.016658 150.1
[M+H-H2O]+ 199.050760 135.9
[M+HCOO]- 261.051701 160.5
[M+CH3COO]- 275.067351 155.6
[M+Na-2H]- 237.028166 150.0
[M]+ 216.05295142 143.9
[M]- 216.05404858 143.9
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

patents stripe