CID 464859

173908-53-7

Structural Information

Molecular Formula
C14H15ClN2O4S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC
InChI
InChI=1S/C14H15ClN2O4S/c1-3-21-14(18)12-5-4-8-17(12)22(19,20)13-9-10(15)6-7-11(13)16-2/h4-9,16H,3H2,1-2H3
InChIKey
ZQSMNPXVUQNWQR-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-(methylamino)phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.0441 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05138 175.9
[M+Na]+ 365.03332 185.5
[M-H]- 341.03682 182.5
[M+NH4]+ 360.07792 191.2
[M+K]+ 381.00726 180.6
[M+H-H2O]+ 325.04136 169.6
[M+HCOO]- 387.04230 189.9
[M+CH3COO]- 401.05795 206.8
[M+Na-2H]- 363.01877 176.7
[M]+ 342.04355 183.4
[M]- 342.04465 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.