CID 370784

Nsc644307

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(C)C1=CC(=O)C(C2=CC=CC=C21)(C)C3=NC(CO3)(C)C
InChI
InChI=1S/C19H23NO2/c1-12(2)14-10-16(21)19(5,15-9-7-6-8-13(14)15)17-20-18(3,4)11-22-17/h6-10,12H,11H2,1-5H3
InChIKey
DZQZKIGAIWYMGM-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methyl-4-propan-2-ylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 168.7
[M+Na]+ 320.162098 178.3
[M-H]- 296.165604 176.3
[M+NH4]+ 315.206703 188.7
[M+K]+ 336.136038 175.4
[M+H-H2O]+ 280.170140 162.0
[M+HCOO]- 342.171081 186.6
[M+CH3COO]- 356.186731 205.8
[M+Na-2H]- 318.147546 171.7
[M]+ 297.17233142 171.2
[M]- 297.17342858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.