CID 3062809

99052-48-9

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1(N=C(C(O1)C2=CC=C(C=C2)[N+](C)(C)[O-])C3=CC=CC=C3)C
InChI
InChI=1S/C19H22N2O2/c1-19(2)20-17(14-8-6-5-7-9-14)18(23-19)15-10-12-16(13-11-15)21(3,4)22/h5-13,18H,1-4H3
InChIKey
UGKSQFYALNFOSH-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 171.4
[M+Na]+ 333.157338 178.5
[M-H]- 309.160844 181.0
[M+NH4]+ 328.201943 186.7
[M+K]+ 349.131278 171.0
[M+H-H2O]+ 293.165380 167.9
[M+HCOO]- 355.166321 192.7
[M+CH3COO]- 369.181971 200.9
[M+Na-2H]- 331.142786 179.1
[M]+ 310.16757142 170.7
[M]- 310.16866858 170.7
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.