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 210.9
[M+Na]+ 524.20620 210.9
[M-H]- 500.20970 202.4
[M+NH4]+ 519.25080 210.3
[M+K]+ 540.18014 214.7
[M+H-H2O]+ 484.21424 202.4
[M+HCOO]- 546.21518 212.7
[M+CH3COO]- 560.23083 217.3
[M+Na-2H]- 522.19165 240.3
[M]+ 501.21643 212.7
[M]- 501.21753 212.7
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.