CID 103154

Einecs 265-385-1

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 253.2
[M+Na]+ 685.24212 250.8
[M-H]- 661.24562 268.3
[M+NH4]+ 680.28672 248.6
[M+K]+ 701.21606 246.3
[M+H-H2O]+ 645.25016 236.8
[M+HCOO]- 707.25110 273.6
[M+CH3COO]- 721.26675 255.5
[M+Na-2H]- 683.22757 254.6
[M]+ 662.25235 250.8
[M]- 662.25345 250.8
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

No patent data available for this compound.