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]+ 350.18968 182.9
[M+Na]+ 372.17162 188.2
[M+NH4]+ 367.21622 191.0
[M+K]+ 388.14556 181.6
[M-H]- 348.17512 183.9
[M+Na-2H]- 370.15707 188.2
[M]+ 349.18185 184.1
[M]- 349.18295 184.1
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.