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]+ 450.202346 208.9
[M+Na]+ 472.184288 213.5
[M-H]- 448.187794 217.8
[M+NH4]+ 467.228893 217.2
[M+K]+ 488.158228 210.3
[M+H-H2O]+ 432.192330 198.5
[M+HCOO]- 494.193271 230.8
[M+CH3COO]- 508.208921 238.9
[M+Na-2H]- 470.169736 205.7
[M]+ 449.19452142 214.0
[M]- 449.19561858 214.0
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.