CID 464852

173908-36-6

Structural Information

Molecular Formula
C14H15ClN2O4S
SMILES
CCCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C14H15ClN2O4S/c1-2-8-21-14(18)12-4-3-7-17(12)22(19,20)13-9-10(15)5-6-11(13)16/h3-7,9H,2,8,16H2,1H3
InChIKey
SMOKWPAQTJHXEP-UHFFFAOYSA-N
Compound name
propyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.0441 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05138 176.3
[M+Na]+ 365.03332 185.8
[M-H]- 341.03682 182.4
[M+NH4]+ 360.07792 191.3
[M+K]+ 381.00726 180.6
[M+H-H2O]+ 325.04136 170.0
[M+HCOO]- 387.04230 189.6
[M+CH3COO]- 401.05795 206.2
[M+Na-2H]- 363.01877 176.1
[M]+ 342.04355 182.8
[M]- 342.04465 182.8
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.