CID 14306931

93823-75-7

Structural Information

Molecular Formula
C17H25N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)CC2=CC=CS2)C
InChI
InChI=1S/C17H25N3O2S/c1-16(2)11-13(17(3,4)20-16)15(22)19-8-7-18-14(21)10-12-6-5-9-23-12/h5-6,9,11,20H,7-8,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKey
PTWKNQWEPWYOIB-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.16675 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17403 178.8
[M+Na]+ 358.15597 184.3
[M+NH4]+ 353.20057 187.0
[M+K]+ 374.12991 177.9
[M-H]- 334.15947 179.8
[M+Na-2H]- 356.14142 184.3
[M]+ 335.16620 180.1
[M]- 335.16730 180.1
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.