CID 14306890

93823-72-4

Structural Information

Molecular Formula
C17H25N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2=CC=CS2)C
InChI
InChI=1S/C17H25N3O2S/c1-16(2)11-12(17(3,4)20-16)14(21)18-8-6-9-19-15(22)13-7-5-10-23-13/h5,7,10-11,20H,6,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKey
YBQSKIOMZWUQOB-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

335.16675 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.174026 177.6
[M+Na]+ 358.155968 183.3
[M-H]- 334.159474 181.8
[M+NH4]+ 353.200573 196.8
[M+K]+ 374.129908 179.4
[M+H-H2O]+ 318.164010 172.4
[M+HCOO]- 380.164951 194.0
[M+CH3COO]- 394.180601 209.4
[M+Na-2H]- 356.141416 176.5
[M]+ 335.16620142 179.5
[M]- 335.16729858 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

patents stripe