CID 589907

Brn 4760593

Structural Information

Molecular Formula
C17H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C17H10N2O4/c20-15-10-5-1-2-6-11(10)16(21)19(15)9-14-18-13-8-4-3-7-12(13)17(22)23-14/h1-8H,9H2
InChIKey
FEXWXVYNEWKTKL-UHFFFAOYSA-N
Compound name
2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07134 166.9
[M+Na]+ 329.05328 178.8
[M-H]- 305.05678 174.6
[M+NH4]+ 324.09788 181.6
[M+K]+ 345.02722 174.5
[M+H-H2O]+ 289.06132 158.1
[M+HCOO]- 351.06226 186.6
[M+CH3COO]- 365.07791 179.5
[M+Na-2H]- 327.03873 172.3
[M]+ 306.06351 170.9
[M]- 306.06461 170.9
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

No patent data available for this compound.