CID 24845302

93798-88-0

Structural Information

Molecular Formula
C17H27N3OS
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CS2)C
InChI
InChI=1S/C17H27N3OS/c1-16(2)11-14(17(3,4)20-16)15(21)19-9-6-8-18-12-13-7-5-10-22-13/h5,7,10-11,18,20H,6,8-9,12H2,1-4H3,(H,19,21)
InChIKey
TZWYQEPGCQSVRU-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(thiophen-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.18747 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19475 175.7
[M+Na]+ 344.17669 182.1
[M+NH4]+ 339.22129 184.9
[M+K]+ 360.15063 174.4
[M-H]- 320.18019 177.7
[M+Na-2H]- 342.16214 182.0
[M]+ 321.18692 177.5
[M]- 321.18802 177.5
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.