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 177.6
[M+Na]+ 358.15597 183.3
[M-H]- 334.15947 181.8
[M+NH4]+ 353.20057 196.8
[M+K]+ 374.12991 179.4
[M+H-H2O]+ 318.16401 172.4
[M+HCOO]- 380.16495 194.0
[M+CH3COO]- 394.18060 209.4
[M+Na-2H]- 356.14142 176.5
[M]+ 335.16620 179.5
[M]- 335.16730 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.