CID 96863

36778-78-6

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1C2(COC(N2C(O1)C3=CC=CC=C3)C4=CC=CC=C4)CO
InChI
InChI=1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2
InChIKey
RXJSYYBGXMOGCK-UHFFFAOYSA-N
Compound name
(3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

25
Patents

297.1365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 166.8
[M+Na]+ 320.12572 173.7
[M-H]- 296.12922 176.1
[M+NH4]+ 315.17032 183.4
[M+K]+ 336.09966 171.5
[M+H-H2O]+ 280.13376 159.8
[M+HCOO]- 342.13470 184.3
[M+CH3COO]- 356.15035 178.4
[M+Na-2H]- 318.11117 169.8
[M]+ 297.13595 166.2
[M]- 297.13705 166.2
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

patents stripe