CID 24845205

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C19H28N2O3/c1-18(2)12-14(19(3,4)21-18)17(22)20-10-9-13-7-8-15(23-5)16(11-13)24-6/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22)
InChIKey
DKHYHJSZQGTCDL-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.21 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 177.4
[M+Na]+ 355.199218 184.9
[M-H]- 331.202724 182.1
[M+NH4]+ 350.243823 195.4
[M+K]+ 371.173158 181.6
[M+H-H2O]+ 315.207260 171.3
[M+HCOO]- 377.208201 197.6
[M+CH3COO]- 391.223851 211.7
[M+Na-2H]- 353.184666 178.6
[M]+ 332.20945142 181.0
[M]- 332.21054858 181.0
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.