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]+ 311.139016 168.7
[M+Na]+ 333.120958 178.4
[M-H]- 309.124464 178.8
[M+NH4]+ 328.165563 186.3
[M+K]+ 349.094898 176.5
[M+H-H2O]+ 293.129000 160.9
[M+HCOO]- 355.129941 186.6
[M+CH3COO]- 369.145591 181.1
[M+Na-2H]- 331.106406 172.2
[M]+ 310.13119142 170.5
[M]- 310.13228858 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.