CID 20148686

94528-65-1

Structural Information

Molecular Formula
C19H27N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C19H27N3O2/c1-12-8-7-9-13(2)16(12)21-15(23)11-20-17(24)14-10-18(3,4)22-19(14,5)6/h7-10,22H,11H2,1-6H3,(H,20,24)(H,21,23)
InChIKey
JBXSWOVTEWINCW-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

329.21033 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.21761 179.1
[M+Na]+ 352.19955 187.8
[M+NH4]+ 347.24415 187.2
[M+K]+ 368.17349 181.0
[M-H]- 328.20305 181.2
[M+Na-2H]- 350.18500 185.8
[M]+ 329.20978 180.9
[M]- 329.21088 180.9
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

patents stripe