CID 155389601

Methyl 2-amino-3-(2,5-dichlorothiophene-3-sulfonamido)propanoate hydrochloride

Structural Information

Molecular Formula
C8H10Cl2N2O4S2
SMILES
COC(=O)C(CNS(=O)(=O)C1=C(SC(=C1)Cl)Cl)N
InChI
InChI=1S/C8H10Cl2N2O4S2/c1-16-8(13)4(11)3-12-18(14,15)5-2-6(9)17-7(5)10/h2,4,12H,3,11H2,1H3
InChIKey
VWSWHVKWDPZQFH-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

331.9459 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.95318 167.8
[M+Na]+ 354.93512 175.6
[M-H]- 330.93862 171.1
[M+NH4]+ 349.97972 184.3
[M+K]+ 370.90906 170.0
[M+H-H2O]+ 314.94316 164.4
[M+HCOO]- 376.94410 171.8
[M+CH3COO]- 390.95975 203.5
[M+Na-2H]- 352.92057 166.3
[M]+ 331.94535 173.4
[M]- 331.94645 173.4
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