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

1
Patents

348.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 195.3
[M+Na]+ 371.209368 200.0
[M-H]- 347.212874 198.9
[M+NH4]+ 366.253973 205.8
[M+K]+ 387.183308 193.5
[M+H-H2O]+ 331.217410 180.0
[M+HCOO]- 393.218351 210.8
[M+CH3COO]- 407.234001 226.0
[M+Na-2H]- 369.194816 196.0
[M]+ 348.21960142 190.0
[M]- 348.22069858 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.