CID 24845294

93798-80-2

Structural Information

Molecular Formula
C17H27N3OS
SMILES
CC(C1=CC=CS1)NCCNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C17H27N3OS/c1-12(14-7-6-10-22-14)18-8-9-19-15(21)13-11-16(2,3)20-17(13,4)5/h6-7,10-12,18,20H,8-9H2,1-5H3,(H,19,21)
InChIKey
GTKKGOMPKRKKAS-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.18747 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19475 174.7
[M+Na]+ 344.17669 180.3
[M-H]- 320.18019 178.9
[M+NH4]+ 339.22129 194.6
[M+K]+ 360.15063 176.4
[M+H-H2O]+ 304.18473 169.4
[M+HCOO]- 366.18567 190.7
[M+CH3COO]- 380.20132 208.8
[M+Na-2H]- 342.16214 173.3
[M]+ 321.18692 175.9
[M]- 321.18802 175.9
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

No patent data available for this compound.