CID 6320243

Yh024

Structural Information

Molecular Formula
C22H36N2O15
SMILES
CCOC(=O)[C@H](C)NC(=O)[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)N[C@H](C)C(=O)OCC)O)O)O)O)O)O
InChI
InChI=1S/C22H36N2O15/c1-5-35-19(33)7(3)23-17(31)15-11(27)9(25)13(29)21(37-15)39-22-14(30)10(26)12(28)16(38-22)18(32)24-8(4)20(34)36-6-2/h7-16,21-22,25-30H,5-6H2,1-4H3,(H,23,31)(H,24,32)/t7-,8+,9+,10-,11-,12-,13+,14+,15-,16-,21+,22?/m0/s1
InChIKey
YPBYDUQRRIVDBS-UPBRNXMDSA-N
Compound name
ethyl (2R)-2-[[(2S,3S,4S,5R)-6-[(2R,3R,4R,5S,6S)-6-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

568.21155 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.21883 230.0
[M+Na]+ 591.20077 227.5
[M-H]- 567.20427 227.2
[M+NH4]+ 586.24537 229.8
[M+K]+ 607.17471 225.4
[M+H-H2O]+ 551.20881 218.3
[M+HCOO]- 613.20975 231.8
[M+CH3COO]- 627.22540 256.3
[M+Na-2H]- 589.18622 258.2
[M]+ 568.21100 239.4
[M]- 568.21210 239.4
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.