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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.20485 195.5
[M+Na]+ 430.18679 201.3
[M-H]- 406.19029 199.6
[M+NH4]+ 425.23139 210.6
[M+K]+ 446.16073 196.6
[M+H-H2O]+ 390.19483 190.2
[M+HCOO]- 452.19577 209.2
[M+CH3COO]- 466.21142 225.0
[M+Na-2H]- 428.17224 196.7
[M]+ 407.19702 198.8
[M]- 407.19812 198.8
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.