CID 356047

Nsc611082

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCC12N(C(=O)ON1C(CO2)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C14H18N2O3/c1-4-14-15(11-8-6-5-7-9-11)12(17)19-16(14)13(2,3)10-18-14/h5-9H,4,10H2,1-3H3
InChIKey
PUVGCFRANLZVPV-UHFFFAOYSA-N
Compound name
3a-ethyl-6,6-dimethyl-3-phenyl-5H-[1,3]oxazolo[3,2-b][1,2,4]oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 155.6
[M+Na]+ 285.12096 165.5
[M-H]- 261.12446 162.4
[M+NH4]+ 280.16556 175.8
[M+K]+ 301.09490 165.0
[M+H-H2O]+ 245.12900 149.8
[M+HCOO]- 307.12994 173.5
[M+CH3COO]- 321.14559 168.8
[M+Na-2H]- 283.10641 159.9
[M]+ 262.13119 158.6
[M]- 262.13229 158.6
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.