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]+ 333.21728 177.4
[M+Na]+ 355.19922 184.9
[M-H]- 331.20272 182.1
[M+NH4]+ 350.24382 195.4
[M+K]+ 371.17316 181.6
[M+H-H2O]+ 315.20726 171.3
[M+HCOO]- 377.20820 197.6
[M+CH3COO]- 391.22385 211.7
[M+Na-2H]- 353.18467 178.6
[M]+ 332.20945 181.0
[M]- 332.21055 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.