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 199.2
[M+Na]+ 428.23086 204.3
[M-H]- 404.23436 206.6
[M+NH4]+ 423.27546 213.1
[M+K]+ 444.20480 199.4
[M+H-H2O]+ 388.23890 191.1
[M+HCOO]- 450.23984 217.7
[M+CH3COO]- 464.25549 228.9
[M+Na-2H]- 426.21631 197.6
[M]+ 405.24109 198.2
[M]- 405.24219 198.2
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.