CID 3053899

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-((1,1-diethyl-2-propynyl)amino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C23H25ClN2O2
SMILES
CCC(CC)(C#C)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H25ClN2O2/c1-5-23(6-2,7-3)25-16-21(27)26(4)20-14-13-18(24)15-19(20)22(28)17-11-9-8-10-12-17/h1,8-15,25H,6-7,16H2,2-4H3
InChIKey
UNIGOYCHWXGPGR-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(3-ethylpent-1-yn-3-ylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16046 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16774 203.7
[M+Na]+ 419.14968 210.8
[M-H]- 395.15318 208.1
[M+NH4]+ 414.19428 213.7
[M+K]+ 435.12362 203.5
[M+H-H2O]+ 379.15772 189.7
[M+HCOO]- 441.15866 214.8
[M+CH3COO]- 455.17431 233.1
[M+Na-2H]- 417.13513 201.8
[M]+ 396.15991 201.5
[M]- 396.16101 201.5
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.