CID 24845225

102132-17-2

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC(NC3(C)C)(C)C
InChI
InChI=1S/C25H31N3O2/c1-16-11-10-12-17(2)20(16)26-23(30)21(18-13-8-7-9-14-18)27-22(29)19-15-24(3,4)28-25(19,5)6/h7-15,21,28H,1-6H3,(H,26,30)(H,27,29)
InChIKey
YHODCMGZWLUCIO-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.24164 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 199.6
[M+Na]+ 428.23086 209.6
[M+NH4]+ 423.27546 207.7
[M+K]+ 444.20480 201.8
[M-H]- 404.23436 204.1
[M+Na-2H]- 426.21631 208.5
[M]+ 405.24109 202.3
[M]- 405.24219 202.3
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.