CID 3074459

1-pyrrolidineacetamide, n-(2,6-dimethylphenyl)-n-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-2-oxo-

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(C2=C(C=CC=C2C)C)C(=O)CN3CCCC3=O
InChI
InChI=1S/C24H29N3O3/c1-16-8-5-9-17(2)23(16)25-20(28)14-27(24-18(3)10-6-11-19(24)4)22(30)15-26-13-7-12-21(26)29/h5-6,8-11H,7,12-15H2,1-4H3,(H,25,28)
InChIKey
NZCNSUZHOMGVEG-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2209 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 200.9
[M+Na]+ 430.21012 205.1
[M-H]- 406.21362 210.6
[M+NH4]+ 425.25472 211.9
[M+K]+ 446.18406 201.5
[M+H-H2O]+ 390.21816 191.0
[M+HCOO]- 452.21910 221.5
[M+CH3COO]- 466.23475 234.6
[M+Na-2H]- 428.19557 196.4
[M]+ 407.22035 202.0
[M]- 407.22145 202.0
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.