CID 791549

4-[4-(dimethylamino)benzylidene]-2-phenyl-2-oxazolin-5-one

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-20(2)15-10-8-13(9-11-15)12-16-18(21)22-17(19-16)14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12-
InChIKey
GVIKVHOLUBDIRH-VBKFSLOCSA-N
Compound name
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

292.1212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 168.3
[M+Na]+ 315.11042 176.2
[M-H]- 291.11392 179.2
[M+NH4]+ 310.15502 183.0
[M+K]+ 331.08436 173.1
[M+H-H2O]+ 275.11846 159.2
[M+HCOO]- 337.11940 192.2
[M+CH3COO]- 351.13505 206.3
[M+Na-2H]- 313.09587 171.2
[M]+ 292.12065 169.8
[M]- 292.12175 169.8
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

patents stripe