CID 384079

Nsc673301

Structural Information

Molecular Formula
C18H16ClNO2
SMILES
CC1(COC(=N1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C18H16ClNO2/c1-18(2)11-22-17(20-18)14-5-3-12(4-6-14)16(21)13-7-9-15(19)10-8-13/h3-10H,11H2,1-2H3
InChIKey
OJVXGUQSDYMULP-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.08694 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09422 171.3
[M+Na]+ 336.07616 181.0
[M-H]- 312.07966 180.9
[M+NH4]+ 331.12076 187.7
[M+K]+ 352.05010 176.3
[M+H-H2O]+ 296.08420 163.5
[M+HCOO]- 358.08514 187.8
[M+CH3COO]- 372.10079 183.6
[M+Na-2H]- 334.06161 173.8
[M]+ 313.08639 174.9
[M]- 313.08749 174.9
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.