CID 14306929

93823-71-3

Structural Information

Molecular Formula
C16H23N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2=CC=CS2)C
InChI
InChI=1S/C16H23N3O2S/c1-15(2)10-11(16(3,4)19-15)13(20)17-7-8-18-14(21)12-6-5-9-22-12/h5-6,9-10,19H,7-8H2,1-4H3,(H,17,20)(H,18,21)
InChIKey
AQCPZYVMWPPUPO-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[2-(thiophene-2-carbonylamino)ethyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1511 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15838 174.6
[M+Na]+ 344.14032 180.4
[M+NH4]+ 339.18492 183.1
[M+K]+ 360.11426 174.2
[M-H]- 320.14382 175.7
[M+Na-2H]- 342.12577 180.4
[M]+ 321.15055 176.0
[M]- 321.15165 176.0
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.