CID 11833276

4-(7-methoxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile

Structural Information

Molecular Formula
C16H10N2O4
SMILES
COC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H10N2O4/c1-21-12-6-7-13-14(8-12)22-16(20)18(15(13)19)11-4-2-10(9-17)3-5-11/h2-8H,1H3
InChIKey
QKRBCKGBLHTIAB-UHFFFAOYSA-N
Compound name
4-(7-methoxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.06406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07134 166.5
[M+Na]+ 317.05328 180.3
[M-H]- 293.05678 172.5
[M+NH4]+ 312.09788 178.7
[M+K]+ 333.02722 174.9
[M+H-H2O]+ 277.06132 151.1
[M+HCOO]- 339.06226 184.8
[M+CH3COO]- 353.07791 177.7
[M+Na-2H]- 315.03873 172.3
[M]+ 294.06351 166.0
[M]- 294.06461 166.0
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

No patent data available for this compound.