CID 370783

Nsc644306

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC1(COC(=N1)C2(C3=CC=CC=C3C(=O)C=C2OC)C)C
InChI
InChI=1S/C17H19NO3/c1-16(2)10-21-15(18-16)17(3)12-8-6-5-7-11(12)13(19)9-14(17)20-4/h5-9H,10H2,1-4H3
InChIKey
NCSACWQKNNBSQT-UHFFFAOYSA-N
Compound name
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methylnaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 162.9
[M+Na]+ 308.12572 173.6
[M-H]- 284.12922 170.8
[M+NH4]+ 303.17032 183.4
[M+K]+ 324.09966 171.2
[M+H-H2O]+ 268.13376 156.2
[M+HCOO]- 330.13470 182.6
[M+CH3COO]- 344.15035 201.0
[M+Na-2H]- 306.11117 168.2
[M]+ 285.13595 166.8
[M]- 285.13705 166.8
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.