CID 3027599

2(3h)-benzoxazolone, 3-methyl-6-(phenylacetyl)-

Structural Information

Molecular Formula
C16H13NO3
SMILES
CN1C2=C(C=C(C=C2)C(=O)CC3=CC=CC=C3)OC1=O
InChI
InChI=1S/C16H13NO3/c1-17-13-8-7-12(10-15(13)20-16(17)19)14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKey
ZSDNICMYZJQIMO-UHFFFAOYSA-N
Compound name
3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 157.7
[M+Na]+ 290.07876 168.8
[M-H]- 266.08226 165.9
[M+NH4]+ 285.12336 174.6
[M+K]+ 306.05270 165.6
[M+H-H2O]+ 250.08680 150.2
[M+HCOO]- 312.08774 181.2
[M+CH3COO]- 326.10339 171.6
[M+Na-2H]- 288.06421 163.3
[M]+ 267.08899 163.0
[M]- 267.09009 163.0
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

patents stripe