CID 465667

Chembl45100

Structural Information

Molecular Formula
C27H29ClN2O4
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H29ClN2O4/c1-3-30(4-2)16-17-33-23-13-11-22(12-14-23)29-26(31)19-34-25-15-10-21(28)18-24(25)27(32)20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,29,31)
InChIKey
GBOKUXQTANGUMQ-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.18158 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.18886 218.0
[M+Na]+ 503.17080 221.4
[M-H]- 479.17430 227.7
[M+NH4]+ 498.21540 225.6
[M+K]+ 519.14474 216.6
[M+H-H2O]+ 463.17884 207.0
[M+HCOO]- 525.17978 236.2
[M+CH3COO]- 539.19543 244.3
[M+Na-2H]- 501.15625 216.9
[M]+ 480.18103 225.3
[M]- 480.18213 225.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.