CID 5388458

4-[4-(dimethylamino)benzylidene]-2-methyl-1,3-oxazol-5(4h)-one

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)O1
InChI
InChI=1S/C13H14N2O2/c1-9-14-12(13(16)17-9)8-10-4-6-11(7-5-10)15(2)3/h4-8H,1-3H3/b12-8-
InChIKey
UZJOKNWPCVCPLB-WQLSENKSSA-N
Compound name
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.1
[M+Na]+ 253.09475 159.9
[M-H]- 229.09825 159.2
[M+NH4]+ 248.13935 169.0
[M+K]+ 269.06869 158.5
[M+H-H2O]+ 213.10279 143.7
[M+HCOO]- 275.10373 175.4
[M+CH3COO]- 289.11938 195.4
[M+Na-2H]- 251.08020 154.6
[M]+ 230.10498 153.5
[M]- 230.10608 153.5
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.