CID 69914030

59495-68-0

Structural Information

Molecular Formula
C32H25NO10
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C32H25NO10/c34-29(21-10-4-1-5-11-21)39-20-26-27(42-30(35)22-12-6-2-7-13-22)28(43-31(36)23-14-8-3-9-15-23)32(41-26)40-25-18-16-24(17-19-25)33(37)38/h1-19,26-28,32H,20H2/t26-,27-,28-,32-/m1/s1
InChIKey
QNXRQZWUODRKJY-RBUURGHLSA-N
Compound name
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-(4-nitrophenoxy)oxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

583.1478 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.15508 233.0
[M+Na]+ 606.13702 245.6
[M+NH4]+ 601.18162 236.2
[M+K]+ 622.11096 244.6
[M-H]- 582.14052 242.2
[M+Na-2H]- 604.12247 241.1
[M]+ 583.14725 237.0
[M]- 583.14835 237.0
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

patents stripe