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 173.5
[M+Na]+ 344.14032 179.7
[M-H]- 320.14382 177.9
[M+NH4]+ 339.18492 193.3
[M+K]+ 360.11426 175.9
[M+H-H2O]+ 304.14836 168.4
[M+HCOO]- 366.14930 190.3
[M+CH3COO]- 380.16495 206.5
[M+Na-2H]- 342.12577 172.9
[M]+ 321.15055 175.0
[M]- 321.15165 175.0
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.