CID 24845304

93798-97-1

Structural Information

Molecular Formula
C17H27N3OS
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CSC=C2)C
InChI
InChI=1S/C17H27N3OS/c1-16(2)10-14(17(3,4)20-16)15(21)19-8-5-7-18-11-13-6-9-22-12-13/h6,9-10,12,18,20H,5,7-8,11H2,1-4H3,(H,19,21)
InChIKey
AFMCIEBFOKWJTQ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(thiophen-3-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 173.8
[M+Na]+ 344.17669 179.7
[M-H]- 320.18019 177.9
[M+NH4]+ 339.22129 193.8
[M+K]+ 360.15063 175.2
[M+H-H2O]+ 304.18473 168.2
[M+HCOO]- 366.18567 190.9
[M+CH3COO]- 380.20132 207.9
[M+Na-2H]- 342.16214 173.5
[M]+ 321.18692 175.6
[M]- 321.18802 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.