CID 71750671

1147438-61-6

Structural Information

Molecular Formula
C37H39N3O16
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-]
InChI
InChI=1S/C37H39N3O16/c1-17-13-28(45)52-25-14-23(11-12-24(17)25)51-36-29(39-40-38)32(30-27(53-36)16-47-35(55-30)22-9-7-6-8-10-22)56-37-34(50-21(5)44)33(49-20(4)43)31(48-19(3)42)26(54-37)15-46-18(2)41/h6-14,26-27,29-37H,15-16H2,1-5H3/t26-,27-,29-,30+,31+,32-,33+,34-,35+,36+,37+/m1/s1
InChIKey
GJZSUWLDWDOLCR-HWVJYMAESA-N
Compound name
[(2R,3S,4S,5R,6R)-6-[[(2S,4aR,6R,7R,8R,8aR)-7-azido-6-(4-methyl-2-oxochromen-7-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

781.23303 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 782.240306 278.7
[M+Na]+ 804.222248 278.0
[M-H]- 780.225754 279.5
[M+NH4]+ 799.266853 281.6
[M+K]+ 820.196188 275.7
[M+H-H2O]+ 764.230290 273.7
[M+HCOO]- 826.231231 282.5
[M+CH3COO]- 840.246881 300.4
[M+Na-2H]- 802.207696 314.3
[M]+ 781.23248142 311.3
[M]- 781.23357858 311.3
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.