CID 119026560

4-[2-oxo-2-(piperidin-1-yl)ethyl]-4h-thieno[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
C1CCN(CC1)C(=O)CN2C3=C(C=C2C(=O)O)SC=C3
InChI
InChI=1S/C14H16N2O3S/c17-13(15-5-2-1-3-6-15)9-16-10-4-7-20-12(10)8-11(16)14(18)19/h4,7-8H,1-3,5-6,9H2,(H,18,19)
InChIKey
SGNYSGKUIQEFIO-UHFFFAOYSA-N
Compound name
4-(2-oxo-2-piperidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08817 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.095446 167.0
[M+Na]+ 315.077388 174.5
[M-H]- 291.080894 171.2
[M+NH4]+ 310.121993 184.3
[M+K]+ 331.051328 171.1
[M+H-H2O]+ 275.085430 160.8
[M+HCOO]- 337.086371 180.1
[M+CH3COO]- 351.102021 177.8
[M+Na-2H]- 313.062836 164.2
[M]+ 292.08762142 168.2
[M]- 292.08871858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.