CID 485310

Diaminopyranoside

Structural Information

Molecular Formula
C20H26N2O4
SMILES
C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2N)N)OCC3=CC=CC=C3)CO
InChI
InChI=1S/C20H26N2O4/c21-17-18(22)20(25-13-15-9-5-2-6-10-15)26-16(11-23)19(17)24-12-14-7-3-1-4-8-14/h1-10,16-20,23H,11-13,21-22H2/t16-,17+,18-,19-,20-/m1/s1
InChIKey
QKCKKXXNIQEYDZ-USYVTKNRSA-N
Compound name
[(2R,3S,4S,5R,6R)-4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.18927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 186.5
[M+Na]+ 381.17849 189.9
[M-H]- 357.18199 193.7
[M+NH4]+ 376.22309 195.6
[M+K]+ 397.15243 186.7
[M+H-H2O]+ 341.18653 176.5
[M+HCOO]- 403.18747 204.9
[M+CH3COO]- 417.20312 217.2
[M+Na-2H]- 379.16394 187.3
[M]+ 358.18872 183.5
[M]- 358.18982 183.5
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.