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]+ 322.194746 173.8
[M+Na]+ 344.176688 179.7
[M-H]- 320.180194 177.9
[M+NH4]+ 339.221293 193.8
[M+K]+ 360.150628 175.2
[M+H-H2O]+ 304.184730 168.2
[M+HCOO]- 366.185671 190.9
[M+CH3COO]- 380.201321 207.9
[M+Na-2H]- 342.162136 173.5
[M]+ 321.18692142 175.6
[M]- 321.18801858 175.6
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.