CID 3062461

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

Structural Information

Molecular Formula
C25H27N3O5
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)NC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C25H27N3O5/c1-16-5-7-17(8-6-16)25(31)21-11-9-18(28(21)2)13-23(29)26-15-24(30)27-20-14-19(32-3)10-12-22(20)33-4/h5-12,14H,13,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKey
SXENMHWUAFRKPO-UHFFFAOYSA-N
Compound name
N-[2-(2,5-dimethoxyanilino)-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

449.19507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.20235 210.2
[M+Na]+ 472.18429 220.2
[M+NH4]+ 467.22889 213.7
[M+K]+ 488.15823 217.0
[M-H]- 448.18779 213.9
[M+Na-2H]- 470.16974 215.5
[M]+ 449.19452 212.2
[M]- 449.19562 212.2
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.

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No patent data available for this compound.