CID 3023138

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(2,6-dimethylphenyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C17H24N2O/c1-11-8-7-9-12(2)14(11)18-15(20)13-10-16(3,4)19-17(13,5)6/h7-10,19H,1-6H3,(H,18,20)
InChIKey
COSUBLMXTFPLES-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

272.18887 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 162.4
[M+Na]+ 295.17809 171.2
[M-H]- 271.18159 167.5
[M+NH4]+ 290.22269 183.1
[M+K]+ 311.15203 166.9
[M+H-H2O]+ 255.18613 156.9
[M+HCOO]- 317.18707 183.0
[M+CH3COO]- 331.20272 201.5
[M+Na-2H]- 293.16354 164.3
[M]+ 272.18832 162.3
[M]- 272.18942 162.3
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

patents stripe