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

literature stripe

Patent stripe

patents stripe