CID 15955898

Cb-(d)k-neamine

Structural Information

Molecular Formula
C24H43N9O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)[C@@H](CCCCN)NC(=O)CN3C=CC(=NC3=O)N)O)O)N)O)O)N
InChI
InChI=1S/C24H43N9O9/c25-5-2-1-3-12(31-15(34)9-33-6-4-14(28)32-24(33)40)22(39)30-8-13-18(36)19(37)16(29)23(41-13)42-21-11(27)7-10(26)17(35)20(21)38/h4,6,10-13,16-21,23,35-38H,1-3,5,7-9,25-27,29H2,(H,30,39)(H,31,34)(H2,28,32,40)/t10-,11+,12-,13-,16-,17+,18-,19-,20-,21-,23-/m1/s1
InChIKey
UQAGXOGAYARHRV-DEXMWAJRSA-N
Compound name
(2R)-6-amino-N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

601.31836 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.32564 235.4
[M+Na]+ 624.30758 234.6
[M-H]- 600.31108 227.5
[M+NH4]+ 619.35218 234.9
[M+K]+ 640.28152 236.3
[M+H-H2O]+ 584.31562 219.6
[M+HCOO]- 646.31656 236.4
[M+CH3COO]- 660.33221 240.2
[M+Na-2H]- 622.29303 266.0
[M]+ 601.31781 252.1
[M]- 601.31891 252.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.