CID 356052

Nsc611086

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1(COC2(N1OC(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C18H18N2O3/c1-17(2)13-22-18(14-9-5-3-6-10-14)19(16(21)23-20(17)18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKey
XDWDQQRNEABYLC-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3,3a-diphenyl-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

310.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 168.7
[M+Na]+ 333.12096 178.4
[M-H]- 309.12446 178.8
[M+NH4]+ 328.16556 186.3
[M+K]+ 349.09490 176.5
[M+H-H2O]+ 293.12900 160.9
[M+HCOO]- 355.12994 186.6
[M+CH3COO]- 369.14559 181.1
[M+Na-2H]- 331.10641 172.2
[M]+ 310.13119 170.5
[M]- 310.13229 170.5
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.