CID 3062458

N-(2-((3-chlorophenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-1h-pyrrole-2-acetamide

Structural Information

Molecular Formula
C23H22ClN3O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H22ClN3O3/c1-15-6-8-16(9-7-15)23(30)20-11-10-19(27(20)2)13-21(28)25-14-22(29)26-18-5-3-4-17(24)12-18/h3-12H,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKey
PPZWTAUOIRQJHB-UHFFFAOYSA-N
Compound name
N-[2-(3-chloroanilino)-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

423.13498 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.14226 202.7
[M+Na]+ 446.12420 208.7
[M-H]- 422.12770 211.4
[M+NH4]+ 441.16880 213.0
[M+K]+ 462.09814 202.5
[M+H-H2O]+ 406.13224 193.3
[M+HCOO]- 468.13318 220.4
[M+CH3COO]- 482.14883 230.7
[M+Na-2H]- 444.10965 200.2
[M]+ 423.13443 206.4
[M]- 423.13553 206.4
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.