CID 455270

Tgg-ii-45c

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1(COC(=N1)C2(C(=O)C=CC3=CC=CC=C32)C)C
InChI
InChI=1S/C16H17NO2/c1-15(2)10-19-14(17-15)16(3)12-7-5-4-6-11(12)8-9-13(16)18/h4-9H,10H2,1-3H3
InChIKey
LOASKSWULIVOBQ-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 156.0
[M+Na]+ 278.11515 166.4
[M-H]- 254.11865 163.8
[M+NH4]+ 273.15975 177.5
[M+K]+ 294.08909 163.6
[M+H-H2O]+ 238.12319 149.2
[M+HCOO]- 300.12413 176.0
[M+CH3COO]- 314.13978 169.5
[M+Na-2H]- 276.10060 162.3
[M]+ 255.12538 157.7
[M]- 255.12648 157.7
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.