CID 3078880

Brn 5983702

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C17H14ClNO3/c1-10-17(21)19(2)14-8-5-12(9-15(14)22-10)16(20)11-3-6-13(18)7-4-11/h3-10H,1-2H3
InChIKey
LJOKGNARINNGRK-UHFFFAOYSA-N
Compound name
7-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06622 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07350 169.2
[M+Na]+ 338.05544 185.9
[M+NH4]+ 333.10004 177.6
[M+K]+ 354.02938 178.1
[M-H]- 314.05894 174.7
[M+Na-2H]- 336.04089 176.0
[M]+ 315.06567 173.6
[M]- 315.06677 173.6
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.