CID 14306914

93823-81-5

Structural Information

Molecular Formula
C22H32ClN3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C22H32ClN3O3/c1-20(2)14-17(21(3,4)26-20)18(27)24-12-7-13-25-19(28)22(5,6)29-16-10-8-15(23)9-11-16/h8-11,14,26H,7,12-13H2,1-6H3,(H,24,27)(H,25,28)
InChIKey
JZBHNVTUGADPLP-UHFFFAOYSA-N
Compound name
N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]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

421.21323 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.22051 199.8
[M+Na]+ 444.20245 205.2
[M-H]- 420.20595 203.7
[M+NH4]+ 439.24705 214.3
[M+K]+ 460.17639 200.2
[M+H-H2O]+ 404.21049 194.3
[M+HCOO]- 466.21143 213.1
[M+CH3COO]- 480.22708 227.9
[M+Na-2H]- 442.18790 200.5
[M]+ 421.21268 203.5
[M]- 421.21378 203.5
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.