CID 497324

Ethyl 1-[5-chloro-2-[(2-methoxyacetyl)amino]phenyl]sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C16H17ClN2O6S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC
InChI
InChI=1S/C16H17ClN2O6S/c1-3-25-16(21)13-5-4-8-19(13)26(22,23)14-9-11(17)6-7-12(14)18-15(20)10-24-2/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKey
XNSYKJZACOQIMR-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[(2-methoxyacetyl)amino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05688 188.4
[M+Na]+ 423.03882 196.4
[M-H]- 399.04232 194.8
[M+NH4]+ 418.08342 200.9
[M+K]+ 439.01276 192.6
[M+H-H2O]+ 383.04686 181.8
[M+HCOO]- 445.04780 201.3
[M+CH3COO]- 459.06345 216.5
[M+Na-2H]- 421.02427 188.2
[M]+ 400.04905 198.1
[M]- 400.05015 198.1
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.