CID 3042725

Glycyl-paromomycin

Structural Information

Molecular Formula
C25H48N6O15
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CNC(=O)CN)O)O)N)O)O)N
InChI
InChI=1S/C25H48N6O15/c26-2-11(34)31-3-8-15(36)17(38)12(29)23(41-8)45-21-10(5-33)43-25(19(21)40)46-22-14(35)6(27)1-7(28)20(22)44-24-13(30)18(39)16(37)9(4-32)42-24/h6-10,12-25,32-33,35-40H,1-5,26-30H2,(H,31,34)
InChIKey
HSHQCVUZDUIHAA-UHFFFAOYSA-N
Compound name
2-amino-N-[[5-amino-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.31775 Da
Monoisotopic Mass

-9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.32503 249.5
[M+Na]+ 695.30697 247.2
[M-H]- 671.31047 243.3
[M+NH4]+ 690.35157 249.3
[M+K]+ 711.28091 259.4
[M+H-H2O]+ 655.31501 241.8
[M+HCOO]- 717.31595 250.4
[M+CH3COO]- 731.33160 253.9
[M+Na-2H]- 693.29242 282.6
[M]+ 672.31720 254.7
[M]- 672.31830 254.7
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.