CID 1571667

2-{[(2-chlorophenoxy)acetyl]amino}-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxamide

Structural Information

Molecular Formula
C16H15ClN2O3S
SMILES
C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C16H15ClN2O3S/c17-10-5-1-2-6-11(10)22-8-13(20)19-16-14(15(18)21)9-4-3-7-12(9)23-16/h1-2,5-6H,3-4,7-8H2,(H2,18,21)(H,19,20)
InChIKey
LMHPVMKQEAONLK-UHFFFAOYSA-N
Compound name
2-[[2-(2-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0492 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.056476 181.3
[M+Na]+ 373.038418 188.9
[M-H]- 349.041924 189.1
[M+NH4]+ 368.083023 199.6
[M+K]+ 389.012358 183.7
[M+H-H2O]+ 333.046460 176.3
[M+HCOO]- 395.047401 195.7
[M+CH3COO]- 409.063051 211.7
[M+Na-2H]- 371.023866 178.8
[M]+ 350.04865142 185.5
[M]- 350.04974858 185.5
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.