CID 24845246

93798-90-4

Structural Information

Molecular Formula
C17H27N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC(CNCC2=CC=CS2)O)C
InChI
InChI=1S/C17H27N3O2S/c1-16(2)8-14(17(3,4)20-16)15(22)19-10-12(21)9-18-11-13-6-5-7-23-13/h5-8,12,18,20-21H,9-11H2,1-4H3,(H,19,22)
InChIKey
BHKJDHUTVPRBGQ-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-(thiophen-2-ylmethylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18968 178.4
[M+Na]+ 360.17162 183.3
[M+NH4]+ 355.21622 186.5
[M+K]+ 376.14556 177.4
[M-H]- 336.17512 179.1
[M+Na-2H]- 358.15707 183.5
[M]+ 337.18185 179.5
[M]- 337.18295 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

No patent data available for this compound.