CID 71310755

1,2-di-o-acetyl-3-azido-3-deoxy-5-o-(p-toluoyl)-d-ribofuranose

Structural Information

Molecular Formula
C17H19N3O7
SMILES
CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H](C(O2)OC(=O)C)OC(=O)C)N=[N+]=[N-]
InChI
InChI=1S/C17H19N3O7/c1-9-4-6-12(7-5-9)16(23)24-8-13-14(19-20-18)15(25-10(2)21)17(27-13)26-11(3)22/h4-7,13-15,17H,8H2,1-3H3/t13-,14-,15-,17?/m1/s1
InChIKey
LNDLSVCWKVEVIX-BOEXNKMNSA-N
Compound name
[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

377.1223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12958 187.4
[M+Na]+ 400.11152 191.3
[M-H]- 376.11502 197.1
[M+NH4]+ 395.15612 199.3
[M+K]+ 416.08546 187.7
[M+H-H2O]+ 360.11956 183.5
[M+HCOO]- 422.12050 213.0
[M+CH3COO]- 436.13615 218.9
[M+Na-2H]- 398.09697 189.5
[M]+ 377.12175 190.6
[M]- 377.12285 190.6
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