CID 455828

Chembl76714

Structural Information

Molecular Formula
C31H32N4O3
SMILES
C1=CC=C(C=C1)CN(CC(CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C31H32N4O3/c36-29(23-34(21-25-13-5-1-6-14-25)30(37)32-27-17-9-3-10-18-27)24-35(22-26-15-7-2-8-16-26)31(38)33-28-19-11-4-12-20-28/h1-20,29,36H,21-24H2,(H,32,37)(H,33,38)
InChIKey
KZARRUWZNIFGNS-UHFFFAOYSA-N
Compound name
1-benzyl-1-[3-[benzyl(phenylcarbamoyl)amino]-2-hydroxypropyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.24744 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.25472 221.7
[M+Na]+ 531.23666 218.5
[M-H]- 507.24016 232.7
[M+NH4]+ 526.28126 224.7
[M+K]+ 547.21060 215.4
[M+H-H2O]+ 491.24470 208.3
[M+HCOO]- 553.24564 243.7
[M+CH3COO]- 567.26129 252.8
[M+Na-2H]- 529.22211 223.3
[M]+ 508.24689 219.4
[M]- 508.24799 219.4
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.