CID 44629932

(1s,2s)-n,n'-dihydroxy-n,n'-bis(diphenylacetyl)-1,2-cyclohexanediamine

Structural Information

Molecular Formula
C34H34N2O4
SMILES
C1CC[C@@H]([C@H](C1)N(C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)O)N(C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C34H34N2O4/c37-33(31(25-15-5-1-6-16-25)26-17-7-2-8-18-26)35(39)29-23-13-14-24-30(29)36(40)34(38)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-32,39-40H,13-14,23-24H2/t29-,30-/m0/s1
InChIKey
FSKBHXVAXWHEQT-KYJUHHDHSA-N
Compound name
N-[(1S,2S)-2-[(2,2-diphenylacetyl)-hydroxyamino]cyclohexyl]-N-hydroxy-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

534.25183 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.25911 225.2
[M+Na]+ 557.24105 220.3
[M-H]- 533.24455 236.9
[M+NH4]+ 552.28565 226.0
[M+K]+ 573.21499 217.4
[M+H-H2O]+ 517.24909 212.0
[M+HCOO]- 579.25003 238.6
[M+CH3COO]- 593.26568 251.9
[M+Na-2H]- 555.22650 221.6
[M]+ 534.25128 217.8
[M]- 534.25238 217.8
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

patents stripe