CID 465673

Chembl43263

Structural Information

Molecular Formula
C26H27ClN2O3
SMILES
CN(C)CCCOC1=CC=C(C=C1)NC(=O)CC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H27ClN2O3/c1-29(2)15-6-16-32-23-13-11-22(12-14-23)28-25(30)17-20-9-10-21(27)18-24(20)26(31)19-7-4-3-5-8-19/h3-5,7-14,18H,6,15-17H2,1-2H3,(H,28,30)
InChIKey
BTFBCVADYQVBJF-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.17102 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17830 211.1
[M+Na]+ 473.16024 215.2
[M-H]- 449.16374 221.1
[M+NH4]+ 468.20484 220.1
[M+K]+ 489.13418 209.8
[M+H-H2O]+ 433.16828 200.6
[M+HCOO]- 495.16922 229.5
[M+CH3COO]- 509.18487 239.4
[M+Na-2H]- 471.14569 210.4
[M]+ 450.17047 216.7
[M]- 450.17157 216.7
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.