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]+ 298.18016 168.7
[M+Na]+ 320.16210 178.3
[M-H]- 296.16560 176.3
[M+NH4]+ 315.20670 188.7
[M+K]+ 336.13604 175.4
[M+H-H2O]+ 280.17014 162.0
[M+HCOO]- 342.17108 186.6
[M+CH3COO]- 356.18673 205.8
[M+Na-2H]- 318.14755 171.7
[M]+ 297.17233 171.2
[M]- 297.17343 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.