CID 465674

Chembl42078

Structural Information

Molecular Formula
C27H29ClN2O3
SMILES
CC1=C(C=CC(=C1)OCCCN(C)C)NC(=O)CC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H29ClN2O3/c1-19-16-23(33-15-7-14-30(2)3)12-13-25(19)29-26(31)17-21-10-11-22(28)18-24(21)27(32)20-8-5-4-6-9-20/h4-6,8-13,16,18H,7,14-15,17H2,1-3H3,(H,29,31)
InChIKey
GZITWFCQTWWKTE-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenyl)-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.18668 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19396 215.8
[M+Na]+ 487.17590 220.3
[M-H]- 463.17940 225.9
[M+NH4]+ 482.22050 224.4
[M+K]+ 503.14984 214.9
[M+H-H2O]+ 447.18394 205.3
[M+HCOO]- 509.18488 233.8
[M+CH3COO]- 523.20053 243.5
[M+Na-2H]- 485.16135 213.8
[M]+ 464.18613 222.1
[M]- 464.18723 222.1
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.