CID 3062459

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

Structural Information

Molecular Formula
C24H25N3O4
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C24H25N3O4/c1-16-8-10-17(11-9-16)24(30)20-13-12-18(27(20)2)14-22(28)25-15-23(29)26-19-6-4-5-7-21(19)31-3/h4-13H,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKey
VSMIFBJUOGVYRY-UHFFFAOYSA-N
Compound name
N-[2-(2-methoxyanilino)-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

419.1845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19178 202.0
[M+Na]+ 442.17372 206.4
[M-H]- 418.17722 210.7
[M+NH4]+ 437.21832 211.4
[M+K]+ 458.14766 202.5
[M+H-H2O]+ 402.18176 191.7
[M+HCOO]- 464.18270 224.1
[M+CH3COO]- 478.19835 232.4
[M+Na-2H]- 440.15917 199.7
[M]+ 419.18395 204.9
[M]- 419.18505 204.9
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.