CID 14069822

N-(4-(3-(4-cyanophenyl)ureido)-3-hydroxyphenyl)-2-(2,4-di-tert-pentylphenoxy)octanamide

Structural Information

Molecular Formula
C38H50N4O4
SMILES
CCCCCCC(C(=O)NC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C38H50N4O4/c1-8-11-12-13-14-34(46-33-22-17-27(37(4,5)9-2)23-30(33)38(6,7)10-3)35(44)40-29-20-21-31(32(43)24-29)42-36(45)41-28-18-15-26(25-39)16-19-28/h15-24,34,43H,8-14H2,1-7H3,(H,40,44)(H2,41,42,45)
InChIKey
GFGGMTSLPLFRRE-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.3832 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.39048 268.0
[M+Na]+ 649.37242 268.6
[M-H]- 625.37592 271.9
[M+NH4]+ 644.41702 266.9
[M+K]+ 665.34636 263.4
[M+H-H2O]+ 609.38046 250.6
[M+HCOO]- 671.38140 278.1
[M+CH3COO]- 685.39705 278.9
[M+Na-2H]- 647.35787 261.8
[M]+ 626.38265 265.0
[M]- 626.38375 265.0
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

No patent data available for this compound.