CID 465665

Chembl42823

Structural Information

Molecular Formula
C27H30N2O4
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H30N2O4/c1-3-29(4-2)18-19-32-23-16-14-22(15-17-23)28-26(30)20-33-25-13-9-8-12-24(25)27(31)21-10-6-5-7-11-21/h5-17H,3-4,18-20H2,1-2H3,(H,28,30)
InChIKey
AVPZMKRJRCAUJT-UHFFFAOYSA-N
Compound name
2-(2-benzoylphenoxy)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.22055 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.22783 211.4
[M+Na]+ 469.20977 212.9
[M-H]- 445.21327 220.8
[M+NH4]+ 464.25437 219.0
[M+K]+ 485.18371 209.7
[M+H-H2O]+ 429.21781 199.4
[M+HCOO]- 491.21875 234.0
[M+CH3COO]- 505.23440 239.8
[M+Na-2H]- 467.19522 211.4
[M]+ 446.22000 215.4
[M]- 446.22110 215.4
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.