CID 14306942

Brn 5989107

Structural Information

Molecular Formula
C17H25N3O3S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCC(CNC(=O)C2=CC=CS2)O)C
InChI
InChI=1S/C17H25N3O3S/c1-16(2)8-12(17(3,4)20-16)14(22)18-9-11(21)10-19-15(23)13-6-5-7-24-13/h5-8,11,20-21H,9-10H2,1-4H3,(H,18,22)(H,19,23)
InChIKey
QUCFKUXLCVNPLZ-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-(thiophene-2-carbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.16165 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16893 181.1
[M+Na]+ 374.15087 185.7
[M-H]- 350.15437 184.0
[M+NH4]+ 369.19547 198.8
[M+K]+ 390.12481 182.3
[M+H-H2O]+ 334.15891 176.4
[M+HCOO]- 396.15985 195.2
[M+CH3COO]- 410.17550 210.2
[M+Na-2H]- 372.13632 179.1
[M]+ 351.16110 182.0
[M]- 351.16220 182.0
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.