CID 3087779

Brn 5958428

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC1(C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H15NO3/c1-17(2)16(20)18-13-9-8-12(10-14(13)21-17)15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20)
InChIKey
NLLZZPGHXJYMGH-UHFFFAOYSA-N
Compound name
7-benzoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.1
[M+Na]+ 304.09442 178.8
[M+NH4]+ 299.13902 173.2
[M+K]+ 320.06836 170.1
[M-H]- 280.09792 168.9
[M+Na-2H]- 302.07987 172.1
[M]+ 281.10465 167.7
[M]- 281.10575 167.7
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.