CID 2733339

(r,r)-(-)-n,n'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine

Structural Information

Molecular Formula
C36H54N2O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/t29-,30-/m1/s1
InChIKey
FYNXDGNCEBQLGC-LOYHVIPDSA-N
Compound name
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

663
Patents

546.4185 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.42578 239.0
[M+Na]+ 569.40772 240.8
[M-H]- 545.41122 247.2
[M+NH4]+ 564.45232 244.5
[M+K]+ 585.38166 236.4
[M+H-H2O]+ 529.41576 230.1
[M+HCOO]- 591.41670 249.1
[M+CH3COO]- 605.43235 263.2
[M+Na-2H]- 567.39317 237.0
[M]+ 546.41795 239.1
[M]- 546.41905 239.1
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

patents stripe