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]+ 311.17540 171.4
[M+Na]+ 333.15734 178.5
[M-H]- 309.16084 181.0
[M+NH4]+ 328.20194 186.7
[M+K]+ 349.13128 171.0
[M+H-H2O]+ 293.16538 167.9
[M+HCOO]- 355.16632 192.7
[M+CH3COO]- 369.18197 200.9
[M+Na-2H]- 331.14279 179.1
[M]+ 310.16757 170.7
[M]- 310.16867 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.