CID 14306943

93823-74-6

Structural Information

Molecular Formula
C18H27N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCCNC(=O)C2=CC=CS2)C
InChI
InChI=1S/C18H27N3O2S/c1-17(2)12-13(18(3,4)21-17)15(22)19-9-5-6-10-20-16(23)14-8-7-11-24-14/h7-8,11-12,21H,5-6,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
OLLGZTOYURHFPU-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[4-(thiophene-2-carbonylamino)butyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.1824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18968 181.7
[M+Na]+ 372.17162 187.0
[M-H]- 348.17512 185.7
[M+NH4]+ 367.21622 200.3
[M+K]+ 388.14556 182.8
[M+H-H2O]+ 332.17966 176.3
[M+HCOO]- 394.18060 197.8
[M+CH3COO]- 408.19625 212.3
[M+Na-2H]- 370.15707 180.2
[M]+ 349.18185 183.9
[M]- 349.18295 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.