CID 14306900

93823-64-4

Structural Information

Molecular Formula
C20H29N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)COC2=CC=CC=C2)C
InChI
InChI=1S/C20H29N3O3/c1-19(2)13-16(20(3,4)23-19)18(25)22-12-8-11-21-17(24)14-26-15-9-6-5-7-10-15/h5-7,9-10,13,23H,8,11-12,14H2,1-4H3,(H,21,24)(H,22,25)
InChIKey
RCFABTQHDCDMKT-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(2-phenoxyacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.2209 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.22818 186.0
[M+Na]+ 382.21012 190.3
[M-H]- 358.21362 189.7
[M+NH4]+ 377.25472 201.7
[M+K]+ 398.18406 186.8
[M+H-H2O]+ 342.21816 178.9
[M+HCOO]- 404.21910 206.1
[M+CH3COO]- 418.23475 216.8
[M+Na-2H]- 380.19557 187.3
[M]+ 359.22035 186.9
[M]- 359.22145 186.9
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.