CID 497334

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

Structural Information

Molecular Formula
C19H22ClN3O6S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN3CCOCC3
InChI
InChI=1S/C19H22ClN3O6S/c1-2-29-19(25)16-4-3-7-23(16)30(26,27)17-12-14(20)5-6-15(17)21-18(24)13-22-8-10-28-11-9-22/h3-7,12H,2,8-11,13H2,1H3,(H,21,24)
InChIKey
RYDBJLLTGDCGQF-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[(2-morpholin-4-ylacetyl)amino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.0918 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.09908 202.5
[M+Na]+ 478.08102 207.6
[M-H]- 454.08452 210.3
[M+NH4]+ 473.12562 209.5
[M+K]+ 494.05496 204.6
[M+H-H2O]+ 438.08906 194.4
[M+HCOO]- 500.09000 209.6
[M+CH3COO]- 514.10565 225.7
[M+Na-2H]- 476.06647 201.4
[M]+ 455.09125 207.7
[M]- 455.09235 207.7
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.