CID 2873960

N-(2-(4-chlorophenyl)-1-(((2-(4-morpholinyl)ethyl)amino)carbonyl)vinyl)benzamide

Structural Information

Molecular Formula
C22H24ClN3O3
SMILES
C1COCCN1CCNC(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H24ClN3O3/c23-19-8-6-17(7-9-19)16-20(25-21(27)18-4-2-1-3-5-18)22(28)24-10-11-26-12-14-29-15-13-26/h1-9,16H,10-15H2,(H,24,28)(H,25,27)/b20-16-
InChIKey
HTCZDIAMROOUIB-SILNSSARSA-N
Compound name
N-[(Z)-1-(4-chlorophenyl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

413.1506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.15788 199.8
[M+Na]+ 436.13982 201.0
[M-H]- 412.14332 206.6
[M+NH4]+ 431.18442 206.3
[M+K]+ 452.11376 196.2
[M+H-H2O]+ 396.14786 189.3
[M+HCOO]- 458.14880 211.9
[M+CH3COO]- 472.16445 225.1
[M+Na-2H]- 434.12527 200.3
[M]+ 413.15005 197.4
[M]- 413.15115 197.4
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.