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]+ 322.14378 174.5
[M+Na]+ 344.12572 182.1
[M-H]- 320.12922 184.0
[M+NH4]+ 339.17032 186.3
[M+K]+ 360.09966 177.6
[M+H-H2O]+ 304.13376 163.8
[M+HCOO]- 366.13470 192.0
[M+CH3COO]- 380.15035 185.2
[M+Na-2H]- 342.11117 179.2
[M]+ 321.13595 172.6
[M]- 321.13705 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.