CID 5278337

Ethyl 4-(2-amino-5-chloro-phenyl)sulfonyl-1-methyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C14H15ClN2O4S
SMILES
CCOC(=O)C1=CN(C=C1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)C
InChI
InChI=1S/C14H15ClN2O4S/c1-3-21-14(18)10-7-17(2)8-13(10)22(19,20)12-6-9(15)4-5-11(12)16/h4-8H,3,16H2,1-2H3
InChIKey
KFOVCAKLFDJBFH-UHFFFAOYSA-N
Compound name
ethyl 4-(2-amino-5-chlorophenyl)sulfonyl-1-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.0441 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05138 176.0
[M+Na]+ 365.03332 186.3
[M-H]- 341.03682 182.4
[M+NH4]+ 360.07792 191.3
[M+K]+ 381.00726 181.2
[M+H-H2O]+ 325.04136 170.1
[M+HCOO]- 387.04230 189.3
[M+CH3COO]- 401.05795 207.5
[M+Na-2H]- 363.01877 175.2
[M]+ 342.04355 182.9
[M]- 342.04465 182.9
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.