CID 370787

Nsc644310

Structural Information

Molecular Formula
C22H21NO2
SMILES
CC1(COC(=N1)C2(C3=CC=CC=C3C(=CC2=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H21NO2/c1-21(2)14-25-20(23-21)22(3)18-12-8-7-11-16(18)17(13-19(22)24)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
InChIKey
VYLXWWMRTUUXCA-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-methyl-4-phenylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 179.0
[M+Na]+ 354.14645 189.0
[M-H]- 330.14995 189.7
[M+NH4]+ 349.19105 196.9
[M+K]+ 370.12039 184.4
[M+H-H2O]+ 314.15449 169.8
[M+HCOO]- 376.15543 198.1
[M+CH3COO]- 390.17108 191.0
[M+Na-2H]- 352.13190 182.9
[M]+ 331.15668 180.3
[M]- 331.15778 180.3
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.