CID 103154

65086-89-7

Structural Information

Molecular Formula
C41H34N4O5
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC(=O)OC6=CC=CC=C6
InChI
InChI=1S/C41H34N4O5/c46-39(42-33-19-11-29(12-20-33)27-31-15-23-35(24-16-31)44-40(47)49-37-7-3-1-4-8-37)43-34-21-13-30(14-22-34)28-32-17-25-36(26-18-32)45-41(48)50-38-9-5-2-6-10-38/h1-26H,27-28H2,(H,44,47)(H,45,48)(H2,42,43,46)
InChIKey
BYBZVHGGXGVFIZ-UHFFFAOYSA-N
Compound name
phenyl N-[4-[[4-[[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamoylamino]phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.2529 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.26018 267.0
[M+Na]+ 685.24212 281.2
[M+NH4]+ 680.28672 271.1
[M+K]+ 701.21606 270.5
[M-H]- 661.24562 280.2
[M+Na-2H]- 683.22757 280.6
[M]+ 662.25235 272.7
[M]- 662.25345 272.7
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.