CID 3062460

1h-pyrrole-2-acetamide, n-(2-((2,3-dimethylphenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-

Structural Information

Molecular Formula
C25H27N3O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)NC3=CC=CC(=C3C)C
InChI
InChI=1S/C25H27N3O3/c1-16-8-10-19(11-9-16)25(31)22-13-12-20(28(22)4)14-23(29)26-15-24(30)27-21-7-5-6-17(2)18(21)3/h5-13H,14-15H2,1-4H3,(H,26,29)(H,27,30)
InChIKey
MESODXXYDHGARC-UHFFFAOYSA-N
Compound name
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.20523 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21251 204.0
[M+Na]+ 440.19445 209.2
[M-H]- 416.19795 213.0
[M+NH4]+ 435.23905 214.0
[M+K]+ 456.16839 204.4
[M+H-H2O]+ 400.20249 194.0
[M+HCOO]- 462.20343 225.6
[M+CH3COO]- 476.21908 234.5
[M+Na-2H]- 438.17990 200.3
[M]+ 417.20468 206.3
[M]- 417.20578 206.3
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.