CID 477130

6-chloro-4-phenethyl-1,4-dihydro-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
C1=CC=C(C=C1)CCC2C3=C(C=CC(=C3)Cl)NC(=O)O2
InChI
InChI=1S/C16H14ClNO2/c17-12-7-8-14-13(10-12)15(20-16(19)18-14)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9H2,(H,18,19)
InChIKey
OYVBDKDYJNQTLE-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-phenylethyl)-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07132 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 164.0
[M+Na]+ 310.06054 172.6
[M-H]- 286.06404 169.1
[M+NH4]+ 305.10514 178.1
[M+K]+ 326.03448 166.8
[M+H-H2O]+ 270.06858 156.2
[M+HCOO]- 332.06952 176.8
[M+CH3COO]- 346.08517 175.0
[M+Na-2H]- 308.04599 169.6
[M]+ 287.07077 164.4
[M]- 287.07187 164.4
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.