CID 382481

Nsc670087

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1(COC(=N1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H17NO2/c1-18(2)12-21-17(19-18)15-10-6-9-14(11-15)16(20)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKey
GTUFNLUUARSYBI-UHFFFAOYSA-N
Compound name
[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.3
[M+Na]+ 302.11514 172.4
[M-H]- 278.11864 173.9
[M+NH4]+ 297.15974 181.0
[M+K]+ 318.08908 169.5
[M+H-H2O]+ 262.12318 156.1
[M+HCOO]- 324.12412 185.6
[M+CH3COO]- 338.13977 176.8
[M+Na-2H]- 300.10059 168.1
[M]+ 279.12537 165.3
[M]- 279.12647 165.3
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.