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]+ 418.212506 204.0
[M+Na]+ 440.194448 209.2
[M-H]- 416.197954 213.0
[M+NH4]+ 435.239053 214.0
[M+K]+ 456.168388 204.4
[M+H-H2O]+ 400.202490 194.0
[M+HCOO]- 462.203431 225.6
[M+CH3COO]- 476.219081 234.5
[M+Na-2H]- 438.179896 200.3
[M]+ 417.20468142 206.3
[M]- 417.20577858 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.