CID 216634

2,2-diphenyl 2-propargyl n-diethylamino ethyl acetamide chlorhydrate [french]

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCN(CC)CCNC(=O)C(CC#C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H28N2O/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(26)24-18-19-25(5-2)6-3/h1,7-16H,5-6,17-19H2,2-3H3,(H,24,26)
InChIKey
YYQNGSVELBOQAO-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2,2-diphenylpent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 195.3
[M+Na]+ 371.20937 200.0
[M-H]- 347.21287 198.9
[M+NH4]+ 366.25397 205.8
[M+K]+ 387.18331 193.5
[M+H-H2O]+ 331.21741 180.0
[M+HCOO]- 393.21835 210.8
[M+CH3COO]- 407.23400 226.0
[M+Na-2H]- 369.19482 196.0
[M]+ 348.21960 190.0
[M]- 348.22070 190.0
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.