CID 477140

6-chloro-4-phenyl-4-propyl-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C17H16ClNO2
SMILES
CCCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C3=CC=CC=C3
InChI
InChI=1S/C17H16ClNO2/c1-2-10-17(12-6-4-3-5-7-12)14-11-13(18)8-9-15(14)19-16(20)21-17/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKey
PLKCCVIJLLPTHA-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-4-propyl-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.08694 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09422 168.3
[M+Na]+ 324.07616 177.5
[M-H]- 300.07966 173.6
[M+NH4]+ 319.12076 184.0
[M+K]+ 340.05010 171.8
[M+H-H2O]+ 284.08420 160.5
[M+HCOO]- 346.08514 180.8
[M+CH3COO]- 360.10079 179.4
[M+Na-2H]- 322.06161 174.4
[M]+ 301.08639 169.4
[M]- 301.08749 169.4
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.