CID 3041560

54333-81-2

Structural Information

Molecular Formula
C17H34N4O9
SMILES
C1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(O3)CO)O)O)O)N)N)CN
InChI
InChI=1S/C17H34N4O9/c18-3-5-1-8(23)10(21)16(27-5)29-14-7(20)2-6(19)11(24)15(14)30-17-13(26)12(25)9(4-22)28-17/h5-17,22-26H,1-4,18-21H2
InChIKey
CSXUCFJGRDYYMI-UHFFFAOYSA-N
Compound name
2-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.23257 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23985 211.5
[M+Na]+ 461.22179 212.2
[M-H]- 437.22529 204.1
[M+NH4]+ 456.26639 211.7
[M+K]+ 477.19573 220.3
[M+H-H2O]+ 421.22983 200.9
[M+HCOO]- 483.23077 213.8
[M+CH3COO]- 497.24642 236.9
[M+Na-2H]- 459.20724 237.7
[M]+ 438.23202 216.9
[M]- 438.23312 216.9
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.