CID 11317653

Schembl12167708

Structural Information

Molecular Formula
C29H26N2O5
SMILES
C1=CC=C(C=C1)OCC(=O)NCC2=CC(=CC=C2)OC3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C29H26N2O5/c32-28(20-34-24-9-3-1-4-10-24)30-19-22-8-7-13-27(18-22)36-26-16-14-23(15-17-26)31-29(33)21-35-25-11-5-2-6-12-25/h1-18H,19-21H2,(H,30,32)(H,31,33)
InChIKey
MJGZCQSFKSABRK-UHFFFAOYSA-N
Compound name
2-phenoxy-N-[[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

482.18417 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.19145 215.6
[M+Na]+ 505.17339 216.8
[M-H]- 481.17689 226.5
[M+NH4]+ 500.21799 220.1
[M+K]+ 521.14733 212.5
[M+H-H2O]+ 465.18143 202.3
[M+HCOO]- 527.18237 238.0
[M+CH3COO]- 541.19802 240.2
[M+Na-2H]- 503.15884 218.1
[M]+ 482.18362 217.2
[M]- 482.18472 217.2
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

patents stripe