CID 356046

Nsc611081

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC1(COC2(N1OC(=O)N2C3=CC=CC=C3)C)C
InChI
InChI=1S/C13H16N2O3/c1-12(2)9-17-13(3)14(11(16)18-15(12)13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
POKOQLRTIONWGX-UHFFFAOYSA-N
Compound name
3a,6,6-trimethyl-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

248.11609 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 151.1
[M+Na]+ 271.10531 161.4
[M-H]- 247.10881 158.1
[M+NH4]+ 266.14991 171.8
[M+K]+ 287.07925 161.1
[M+H-H2O]+ 231.11335 145.4
[M+HCOO]- 293.11429 169.3
[M+CH3COO]- 307.12994 164.7
[M+Na-2H]- 269.09076 155.9
[M]+ 248.11554 153.7
[M]- 248.11664 153.7
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

No patent data available for this compound.