CID 10967835

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

Structural Information

Molecular Formula
C16H10N2O3
SMILES
CC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C16H10N2O3/c1-10-2-7-13-14(8-10)21-16(20)18(15(13)19)12-5-3-11(9-17)4-6-12/h2-8H,1H3
InChIKey
NFAOOIKOCHWNLJ-UHFFFAOYSA-N
Compound name
4-(7-methyl-2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.06915 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07643 164.3
[M+Na]+ 301.05837 178.3
[M-H]- 277.06187 170.3
[M+NH4]+ 296.10297 177.2
[M+K]+ 317.03231 172.2
[M+H-H2O]+ 261.06641 149.2
[M+HCOO]- 323.06735 182.4
[M+CH3COO]- 337.08300 175.7
[M+Na-2H]- 299.04382 170.0
[M]+ 278.06860 162.6
[M]- 278.06970 162.6
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

No patent data available for this compound.