CID 135494437

2,2'-[(1r,2r)-(-)-1,2-cyclohexanediylbis((e)-(nitrilomethylidyne))]bis[4-(tert-butyl)-6-(4-morpholinylmethyl)phenol]

Structural Information

Molecular Formula
C38H56N4O4
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C=N[C@@H]2CCCC[C@H]2N=CC3=CC(=CC(=C3O)CN4CCOCC4)C(C)(C)C)O)CN5CCOCC5
InChI
InChI=1S/C38H56N4O4/c1-37(2,3)31-19-27(35(43)29(21-31)25-41-11-15-45-16-12-41)23-39-33-9-7-8-10-34(33)40-24-28-20-32(38(4,5)6)22-30(36(28)44)26-42-13-17-46-18-14-42/h19-24,33-34,43-44H,7-18,25-26H2,1-6H3/t33-,34-/m1/s1
InChIKey
ZSDPYCVORQDIHQ-KKLWWLSJSA-N
Compound name
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-2-hydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-(morpholin-4-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

632.4302 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.43748 264.1
[M+Na]+ 655.41942 260.5
[M-H]- 631.42292 274.1
[M+NH4]+ 650.46402 258.1
[M+K]+ 671.39336 257.1
[M+H-H2O]+ 615.42746 249.2
[M+HCOO]- 677.42840 266.0
[M+CH3COO]- 691.44405 274.4
[M+Na-2H]- 653.40487 258.3
[M]+ 632.42965 256.8
[M]- 632.43075 256.8
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