CID 3068328

Methanone, (4-nitrophenyl)(3-(beta-d-xylopyranosyloxy)phenyl)-

Structural Information

Molecular Formula
C18H17NO8
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O)O
InChI
InChI=1S/C18H17NO8/c20-14-9-26-18(17(23)16(14)22)27-13-3-1-2-11(8-13)15(21)10-4-6-12(7-5-10)19(24)25/h1-8,14,16-18,20,22-23H,9H2/t14-,16+,17-,18+/m1/s1
InChIKey
REJKJBPZTFIKPU-SPUZQDLCSA-N
Compound name
(4-nitrophenyl)-[3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.09543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10271 182.3
[M+Na]+ 398.08465 194.1
[M+NH4]+ 393.12925 186.9
[M+K]+ 414.05859 193.4
[M-H]- 374.08815 187.5
[M+Na-2H]- 396.07010 186.7
[M]+ 375.09488 185.0
[M]- 375.09598 185.0
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.