CID 463047

3-(4-cyclohexylphenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C20H19NO3
SMILES
C1CCC(CC1)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C20H19NO3/c22-19-17-8-4-5-9-18(17)24-20(23)21(19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2
InChIKey
ZIJBUZUVKXZAMK-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.143776 174.5
[M+Na]+ 344.125718 182.1
[M-H]- 320.129224 184.0
[M+NH4]+ 339.170323 186.3
[M+K]+ 360.099658 177.6
[M+H-H2O]+ 304.133760 163.8
[M+HCOO]- 366.134701 192.0
[M+CH3COO]- 380.150351 185.2
[M+Na-2H]- 342.111166 179.2
[M]+ 321.13595142 172.6
[M]- 321.13704858 172.6
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.