CID 3077702

Brn 4325637

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C18H17NO3/c1-12-18(21)19(2)15-9-8-14(11-17(15)22-12)16(20)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKey
OKCCBBRDGLKTMM-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-(2-phenylacetyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 168.3
[M+Na]+ 318.110068 176.4
[M-H]- 294.113574 175.1
[M+NH4]+ 313.154673 181.9
[M+K]+ 334.084008 173.2
[M+H-H2O]+ 278.118110 159.4
[M+HCOO]- 340.119051 185.8
[M+CH3COO]- 354.134701 205.3
[M+Na-2H]- 316.095516 172.0
[M]+ 295.12030142 169.5
[M]- 295.12139858 169.5
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.