CID 383362

Nsc671476

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CCOC(=O)C1=C(SC2=C1C(CC2)(C)C(=O)OCC)N
InChI
InChI=1S/C14H19NO4S/c1-4-18-12(16)9-10-8(20-11(9)15)6-7-14(10,3)13(17)19-5-2/h4-7,15H2,1-3H3
InChIKey
FGMKGQCGPZRWDW-UHFFFAOYSA-N
Compound name
diethyl 2-amino-4-methyl-5,6-dihydrocyclopenta[b]thiophene-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 169.1
[M+Na]+ 320.09272 177.0
[M-H]- 296.09622 173.5
[M+NH4]+ 315.13732 191.3
[M+K]+ 336.06666 174.9
[M+H-H2O]+ 280.10076 165.4
[M+HCOO]- 342.10170 186.1
[M+CH3COO]- 356.11735 202.3
[M+Na-2H]- 318.07817 167.0
[M]+ 297.10295 175.0
[M]- 297.10405 175.0
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.