CID 14306916

93823-84-8

Structural Information

Molecular Formula
C20H27Cl2N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C20H27Cl2N3O3/c1-19(2)11-14(20(3,4)25-19)18(27)24-9-5-8-23-17(26)12-28-16-7-6-13(21)10-15(16)22/h6-7,10-11,25H,5,8-9,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKey
OQLQJKGASCXMIJ-UHFFFAOYSA-N
Compound name
N-[3-[[2-(2,4-dichlorophenoxy)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

427.14294 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15022 195.8
[M+Na]+ 450.13216 203.0
[M-H]- 426.13566 199.5
[M+NH4]+ 445.17676 210.7
[M+K]+ 466.10610 196.5
[M+H-H2O]+ 410.14020 190.9
[M+HCOO]- 472.14114 206.5
[M+CH3COO]- 486.15679 226.7
[M+Na-2H]- 448.11761 194.9
[M]+ 427.14239 200.8
[M]- 427.14349 200.8
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.