CID 515930

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

Structural Information

Molecular Formula
C17H13ClN2O4S
SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C17H13ClN2O4S/c18-12-8-9-14(19)16(11-12)25(22,23)20-10-4-7-15(20)17(21)24-13-5-2-1-3-6-13/h1-11H,19H2
InChIKey
CPUHCDKQADPSIA-UHFFFAOYSA-N
Compound name
phenyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.02844 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03572 184.9
[M+Na]+ 399.01766 194.6
[M-H]- 375.02116 194.3
[M+NH4]+ 394.06226 198.1
[M+K]+ 414.99160 188.6
[M+H-H2O]+ 359.02570 177.6
[M+HCOO]- 421.02664 198.8
[M+CH3COO]- 435.04229 211.2
[M+Na-2H]- 397.00311 185.8
[M]+ 376.02789 190.2
[M]- 376.02899 190.2
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.