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]+ 293.09545 167.0
[M+Na]+ 315.07739 174.5
[M-H]- 291.08089 171.2
[M+NH4]+ 310.12199 184.3
[M+K]+ 331.05133 171.1
[M+H-H2O]+ 275.08543 160.8
[M+HCOO]- 337.08637 180.1
[M+CH3COO]- 351.10202 177.8
[M+Na-2H]- 313.06284 164.2
[M]+ 292.08762 168.2
[M]- 292.08872 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.