CID 978706

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

Structural Information

Molecular Formula
C18H19NO5S
SMILES
COC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC
InChI
InChI=1S/C18H19NO5S/c1-22-11-6-8-12(9-7-11)24-10-15(20)19-17-16(18(21)23-2)13-4-3-5-14(13)25-17/h6-9H,3-5,10H2,1-2H3,(H,19,20)
InChIKey
DPCYOAPCAYFOMN-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.0984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.105676 185.0
[M+Na]+ 384.087618 191.4
[M-H]- 360.091124 193.1
[M+NH4]+ 379.132223 202.5
[M+K]+ 400.061558 189.1
[M+H-H2O]+ 344.095660 179.1
[M+HCOO]- 406.096601 203.4
[M+CH3COO]- 420.112251 213.1
[M+Na-2H]- 382.073066 182.7
[M]+ 361.09785142 192.1
[M]- 361.09894858 192.1
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

patents stripe