CID 14306935

93823-80-4

Structural Information

Molecular Formula

C₂₁H₃₀ClN₃O₃

SMILES

CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C21H30ClN3O3/c1-19(2)13-16(20(3,4)25-19)17(26)23-11-12-24-18(27)21(5,6)28-15-9-7-14(22)8-10-15/h7-10,13,25H,11-12H2,1-6H3,(H,23,26)(H,24,27)

InChIKey

OLZVWQFQPOSOKZ-UHFFFAOYSA-N

Compound name

N-[2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 407.19757 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.204846	195.5
[M+Na]+	430.186788	201.3
[M-H]-	406.190294	199.6
[M+NH4]+	425.231393	210.6
[M+K]+	446.160728	196.6
[M+H-H2O]+	390.194830	190.2
[M+HCOO]-	452.195771	209.2
[M+CH3COO]-	466.211421	225.0
[M+Na-2H]-	428.172236	196.7
[M]+	407.19702142	198.8
[M]-	407.19811858	198.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.