CID 24845196

93823-82-6

Structural Information

Molecular Formula
C22H32ClN3O4
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC(CNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)O)C
InChI
InChI=1S/C22H32ClN3O4/c1-20(2)11-17(21(3,4)26-20)18(28)24-12-15(27)13-25-19(29)22(5,6)30-16-9-7-14(23)8-10-16/h7-11,15,26-27H,12-13H2,1-6H3,(H,24,28)(H,25,29)
InChIKey
DAAGRSCQHIVWCM-UHFFFAOYSA-N
Compound name
N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.20813 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21541 200.6
[M+Na]+ 460.19735 206.7
[M+NH4]+ 455.24195 206.5
[M+K]+ 476.17129 201.9
[M-H]- 436.20085 200.1
[M+Na-2H]- 458.18280 205.3
[M]+ 437.20758 201.4
[M]- 437.20868 201.4
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.