CID 3087781

Brn 5965500

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C18H17NO3/c1-18(2)17(21)19(3)14-10-9-13(11-15(14)22-18)16(20)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey
HDUWAEYGYCUILD-UHFFFAOYSA-N
Compound name
7-benzoyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 167.5
[M+Na]+ 318.110068 176.7
[M-H]- 294.113574 174.8
[M+NH4]+ 313.154673 183.3
[M+K]+ 334.084008 173.9
[M+H-H2O]+ 278.118110 159.0
[M+HCOO]- 340.119051 185.1
[M+CH3COO]- 354.134701 204.8
[M+Na-2H]- 316.095516 172.4
[M]+ 295.12030142 169.1
[M]- 295.12139858 169.1
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.