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]+ 336.174026 177.6
[M+Na]+ 358.155968 183.3
[M-H]- 334.159474 181.8
[M+NH4]+ 353.200573 196.8
[M+K]+ 374.129908 179.4
[M+H-H2O]+ 318.164010 172.4
[M+HCOO]- 380.164951 194.0
[M+CH3COO]- 394.180601 209.4
[M+Na-2H]- 356.141416 176.5
[M]+ 335.16620142 179.5
[M]- 335.16729858 179.5
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.