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]+ 351.05648 181.3
[M+Na]+ 373.03842 188.9
[M-H]- 349.04192 189.1
[M+NH4]+ 368.08302 199.6
[M+K]+ 389.01236 183.7
[M+H-H2O]+ 333.04646 176.3
[M+HCOO]- 395.04740 195.7
[M+CH3COO]- 409.06305 211.7
[M+Na-2H]- 371.02387 178.8
[M]+ 350.04865 185.5
[M]- 350.04975 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.