CID 497328

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

Structural Information

Molecular Formula
C17H20ClN3O5S
SMILES
CCNCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC
InChI
InChI=1S/C17H20ClN3O5S/c1-3-19-11-16(22)20-13-8-7-12(18)10-15(13)27(24,25)21-9-5-6-14(21)17(23)26-4-2/h5-10,19H,3-4,11H2,1-2H3,(H,20,22)
InChIKey
KLFUIKSNVTXOKN-UHFFFAOYSA-N
Compound name
ethyl 1-[5-chloro-2-[[2-(ethylamino)acetyl]amino]phenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.08848 194.4
[M+Na]+ 436.07042 201.1
[M-H]- 412.07392 200.4
[M+NH4]+ 431.11502 206.0
[M+K]+ 452.04436 196.4
[M+H-H2O]+ 396.07846 187.2
[M+HCOO]- 458.07940 207.7
[M+CH3COO]- 472.09505 222.4
[M+Na-2H]- 434.05587 194.0
[M]+ 413.08065 202.2
[M]- 413.08175 202.2
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.