CID 113094

63149-27-9

Structural Information

Molecular Formula
C37H46N2O4
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)N)O)C(C)(C)CC
InChI
InChI=1S/C37H46N2O4/c1-7-36(3,4)25-15-20-32(31(23-25)37(5,6)8-2)42-22-12-11-21-39-35(41)30-24-33(43-27-18-16-26(38)17-19-27)28-13-9-10-14-29(28)34(30)40/h9-10,13-20,23-24,40H,7-8,11-12,21-22,38H2,1-6H3,(H,39,41)
InChIKey
IRSKGCDDLMCVBY-UHFFFAOYSA-N
Compound name
4-(4-aminophenoxy)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

582.34576 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.35304 253.4
[M+Na]+ 605.33498 265.0
[M+NH4]+ 600.37958 257.8
[M+K]+ 621.30892 256.7
[M-H]- 581.33848 259.3
[M+Na-2H]- 603.32043 259.2
[M]+ 582.34521 256.9
[M]- 582.34631 256.9
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