CID 218075

2,2-diphenyl 2-propargyl (2'-methyl phenethylamino ethyl) methyl acetamide chlorhydrate

Structural Information

Molecular Formula
C29H32N2O
SMILES
CC1=CC=CC=C1CCNCCN(C)C(=O)C(CC#C)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C29H32N2O/c1-4-20-29(26-15-7-5-8-16-26,27-17-9-6-10-18-27)28(32)31(3)23-22-30-21-19-25-14-12-11-13-24(25)2/h1,5-18,30H,19-23H2,2-3H3
InChIKey
XYXMAXGXIRZNCD-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-[2-(2-methylphenyl)ethylamino]ethyl]-2,2-diphenylpent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.25146 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.25874 217.6
[M+Na]+ 447.24068 222.0
[M-H]- 423.24418 222.9
[M+NH4]+ 442.28528 224.7
[M+K]+ 463.21462 212.9
[M+H-H2O]+ 407.24872 200.6
[M+HCOO]- 469.24966 232.0
[M+CH3COO]- 483.26531 239.0
[M+Na-2H]- 445.22613 216.6
[M]+ 424.25091 211.7
[M]- 424.25201 211.7
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.