CID 3728663

1-(2-hydroxy-1-phenylethyl)-3-{2-[3-(2-{[(2-hydroxy-1-phenylethyl)carbamoyl]amino}propan-2-yl)phenyl]propan-2-yl}urea

Structural Information

Molecular Formula
C30H38N4O4
SMILES
CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)NC(CO)C2=CC=CC=C2)NC(=O)NC(CO)C3=CC=CC=C3
InChI
InChI=1S/C30H38N4O4/c1-29(2,33-27(37)31-25(19-35)21-12-7-5-8-13-21)23-16-11-17-24(18-23)30(3,4)34-28(38)32-26(20-36)22-14-9-6-10-15-22/h5-18,25-26,35-36H,19-20H2,1-4H3,(H2,31,33,37)(H2,32,34,38)
InChIKey
HBYGKMKYYXZXIS-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-1-phenylethyl)-3-[2-[3-[2-[(2-hydroxy-1-phenylethyl)carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

518.2893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.29658 228.3
[M+Na]+ 541.27852 233.8
[M+NH4]+ 536.32312 230.6
[M+K]+ 557.25246 230.4
[M-H]- 517.28202 232.0
[M+Na-2H]- 539.26397 234.0
[M]+ 518.28875 229.6
[M]- 518.28985 229.6
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

No patent data available for this compound.