CID 14306910

93823-76-8

Structural Information

Molecular Formula
C18H27N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)CC2=CC=CS2)C
InChI
InChI=1S/C18H27N3O2S/c1-17(2)12-14(18(3,4)21-17)16(23)20-9-6-8-19-15(22)11-13-7-5-10-24-13/h5,7,10,12,21H,6,8-9,11H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
ZLIGHXZVSYWMAA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(2-thiophen-2-ylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.1824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.189676 181.7
[M+Na]+ 372.171618 187.0
[M-H]- 348.175124 185.7
[M+NH4]+ 367.216223 200.3
[M+K]+ 388.145558 182.8
[M+H-H2O]+ 332.179660 176.3
[M+HCOO]- 394.180601 197.8
[M+CH3COO]- 408.196251 212.3
[M+Na-2H]- 370.157066 180.2
[M]+ 349.18185142 183.9
[M]- 349.18294858 183.9
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.