CID 482570

Anthracene-9-carbonyl substituted neamine

Structural Information

Molecular Formula
C27H34N4O7
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)C3=C4C=CC=CC4=CC5=CC=CC=C53)O)O)N)O)O)N
InChI
InChI=1S/C27H34N4O7/c28-16-10-17(29)25(24(35)21(16)32)38-27-20(30)23(34)22(33)18(37-27)11-31-26(36)19-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)19/h1-9,16-18,20-25,27,32-35H,10-11,28-30H2,(H,31,36)/t16-,17+,18-,20-,21+,22-,23-,24-,25-,27-/m1/s1
InChIKey
OSDZAFSKOJWJBL-UKEBMYJWSA-N
Compound name
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]anthracene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.24274 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.25002 222.9
[M+Na]+ 549.23196 224.8
[M-H]- 525.23546 227.7
[M+NH4]+ 544.27656 224.5
[M+K]+ 565.20590 222.9
[M+H-H2O]+ 509.24000 212.7
[M+HCOO]- 571.24094 231.1
[M+CH3COO]- 585.25659 257.2
[M+Na-2H]- 547.21741 253.3
[M]+ 526.24219 216.0
[M]- 526.24329 216.0
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.