CID 515928

2-hydroxyethyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C13H13ClN2O5S
SMILES
C1=CN(C(=C1)C(=O)OCCO)S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C13H13ClN2O5S/c14-9-3-4-10(15)12(8-9)22(19,20)16-5-1-2-11(16)13(18)21-7-6-17/h1-5,8,17H,6-7,15H2
InChIKey
UMISYWDIACBOSZ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.02338 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.03066 174.1
[M+Na]+ 367.01260 183.2
[M-H]- 343.01610 178.9
[M+NH4]+ 362.05720 188.1
[M+K]+ 382.98654 178.2
[M+H-H2O]+ 327.02064 168.2
[M+HCOO]- 389.02158 186.5
[M+CH3COO]- 403.03723 203.2
[M+Na-2H]- 364.99805 174.4
[M]+ 344.02283 179.8
[M]- 344.02393 179.8
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.