CID 14306918

93823-86-0

Structural Information

Molecular Formula
C21H30ClN3O3
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NCCCNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C21H30ClN3O3/c1-14-11-15(22)7-8-17(14)28-13-18(26)23-9-6-10-24-19(27)16-12-20(2,3)25-21(16,4)5/h7-8,11-12,25H,6,9-10,13H2,1-5H3,(H,23,26)(H,24,27)
InChIKey
NGUUESNUIDYPQZ-UHFFFAOYSA-N
Compound name
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]propyl]-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.204846 195.1
[M+Na]+ 430.186788 201.6
[M-H]- 406.190294 199.3
[M+NH4]+ 425.231393 210.4
[M+K]+ 446.160728 196.2
[M+H-H2O]+ 390.194830 189.4
[M+HCOO]- 452.195771 210.4
[M+CH3COO]- 466.211421 225.8
[M+Na-2H]- 428.172236 194.4
[M]+ 407.19702142 199.4
[M]- 407.19811858 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.