CID 3040442

Hybrimycin-d

Structural Information

Molecular Formula
C18H35N3O13
SMILES
C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)OC3C(C(C(C(O3)CO)O)O)O)N)O)N)O)N)O)O
InChI
InChI=1S/C18H35N3O13/c19-5-8(24)3(1-22)31-17(11(5)27)33-15-6(20)10(26)7(21)16(14(15)30)34-18-13(29)12(28)9(25)4(2-23)32-18/h3-18,22-30H,1-2,19-21H2
InChIKey
OVRZSYBFMXXXDW-UHFFFAOYSA-N
Compound name
2-[2,4-diamino-5-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.21698 Da
Monoisotopic Mass

-7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.22426 212.6
[M+Na]+ 524.20620 212.3
[M+NH4]+ 519.25080 212.3
[M+K]+ 540.18014 215.1
[M-H]- 500.20970 204.6
[M+Na-2H]- 522.19165 229.4
[M]+ 501.21643 210.2
[M]- 501.21753 210.2
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.