CID 18731365

111244-14-5

Structural Information

Molecular Formula
C35H48N2O5
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=C(C=C2)C(=CC=C3)NC(=O)OCC(C)C)O)C(C)(C)CC
InChI
InChI=1S/C35H48N2O5/c1-9-34(5,6)24-15-18-30(28(21-24)35(7,8)10-2)41-20-12-19-36-32(39)27-17-16-25-26(31(27)38)13-11-14-29(25)37-33(40)42-22-23(3)4/h11,13-18,21,23,38H,9-10,12,19-20,22H2,1-8H3,(H,36,39)(H,37,40)
InChIKey
CTVXKQSEDRWIQJ-UHFFFAOYSA-N
Compound name
2-methylpropyl N-[6-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-5-hydroxynaphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

576.3563 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.36358 247.4
[M+Na]+ 599.34552 255.3
[M+NH4]+ 594.39012 249.9
[M+K]+ 615.31946 249.9
[M-H]- 575.34902 249.3
[M+Na-2H]- 597.33097 249.5
[M]+ 576.35575 248.8
[M]- 576.35685 248.8
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