CID 370786

153312-20-0

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1=CC(=O)C(C2=CC=CC=C12)(C)C3=NC(CO3)(C)C
InChI
InChI=1S/C17H19NO2/c1-11-9-14(19)17(4,13-8-6-5-7-12(11)13)15-18-16(2,3)10-20-15/h5-9H,10H2,1-4H3
InChIKey
QRWXKCZIDVOJIQ-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,4-dimethylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

269.14157 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 159.6
[M+Na]+ 292.13079 170.5
[M-H]- 268.13429 167.6
[M+NH4]+ 287.17539 180.9
[M+K]+ 308.10473 167.5
[M+H-H2O]+ 252.13883 153.0
[M+HCOO]- 314.13977 179.3
[M+CH3COO]- 328.15542 173.1
[M+Na-2H]- 290.11624 164.8
[M]+ 269.14102 162.1
[M]- 269.14212 162.1
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

patents stripe