CID 464861

173908-55-9

Structural Information

Molecular Formula
C17H21ClN2O4S
SMILES
CCCCNC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC
InChI
InChI=1S/C17H21ClN2O4S/c1-3-5-10-19-14-9-8-13(18)12-16(14)25(22,23)20-11-6-7-15(20)17(21)24-4-2/h6-9,11-12,19H,3-5,10H2,1-2H3
InChIKey
BPHYFNNQEQKLNP-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(butylamino)-5-chlorophenyl]sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.09106 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09834 189.1
[M+Na]+ 407.08028 197.3
[M-H]- 383.08378 195.2
[M+NH4]+ 402.12488 202.7
[M+K]+ 423.05422 191.8
[M+H-H2O]+ 367.08832 182.2
[M+HCOO]- 429.08926 202.1
[M+CH3COO]- 443.10491 215.6
[M+Na-2H]- 405.06573 188.5
[M]+ 384.09051 197.7
[M]- 384.09161 197.7
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.