CID 3013427

Trehalose deriv.

Structural Information

Molecular Formula
C24H48N10O11
SMILES
C(CC(C(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)C(CCCN=C(N)N)N)O)O)O)O)O)O)N)CN=C(N)N
InChI
InChI=1S/C24H48N10O11/c25-9(3-1-5-31-23(27)28)19(41)33-7-11-13(35)15(37)17(39)21(43-11)45-22-18(40)16(38)14(36)12(44-22)8-34-20(42)10(26)4-2-6-32-24(29)30/h9-18,21-22,35-40H,1-8,25-26H2,(H,33,41)(H,34,42)(H4,27,28,31)(H4,29,30,32)/t9?,10?,11-,12-,13-,14-,15+,16+,17-,18-,21-,22-/m1/s1
InChIKey
QXJLZADLDPLULO-YKOSCDRISA-N
Compound name
2-amino-N-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

652.3504 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.35768 246.6
[M+Na]+ 675.33962 241.2
[M-H]- 651.34312 242.5
[M+NH4]+ 670.38422 246.3
[M+K]+ 691.31356 251.2
[M+H-H2O]+ 635.34766 233.2
[M+HCOO]- 697.34860 247.2
[M+CH3COO]- 711.36425 250.6
[M+Na-2H]- 673.32507 288.3
[M]+ 652.34985 264.3
[M]- 652.35095 264.3
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.