CID 57279

Acetamide, n-(2-(diethylamino)ethyl)-2,2-diphenyl-n-(3-pyridylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C26H31N3O
SMILES
CCN(CC)CCN(CC1=CN=CC=C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H31N3O/c1-3-28(4-2)18-19-29(21-22-12-11-17-27-20-22)26(30)25(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-17,20,25H,3-4,18-19,21H2,1-2H3
InChIKey
MMNOQUBWKPCQQW-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.25398 202.5
[M+Na]+ 424.23592 203.0
[M-H]- 400.23942 211.3
[M+NH4]+ 419.28052 211.0
[M+K]+ 440.20986 199.2
[M+H-H2O]+ 384.24396 189.9
[M+HCOO]- 446.24490 223.9
[M+CH3COO]- 460.26055 234.7
[M+Na-2H]- 422.22137 203.9
[M]+ 401.24615 203.7
[M]- 401.24725 203.7
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.