CID 497348

Acetamide,n-[4-chloro-2-[[2-(1-oxobutyl)-1h-pyrrol-1-yl]sulfonyl]phenyl]-

Structural Information

Molecular Formula
C16H17ClN2O4S
SMILES
CCCC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C
InChI
InChI=1S/C16H17ClN2O4S/c1-3-5-15(21)14-6-4-9-19(14)24(22,23)16-10-12(17)7-8-13(16)18-11(2)20/h4,6-10H,3,5H2,1-2H3,(H,18,20)
InChIKey
JLVRQMCKIJWBNI-UHFFFAOYSA-N
Compound name
N-[2-(2-butanoylpyrrol-1-yl)sulfonyl-4-chlorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.05975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06703 183.5
[M+Na]+ 391.04897 192.0
[M-H]- 367.05247 189.9
[M+NH4]+ 386.09357 197.5
[M+K]+ 407.02291 186.8
[M+H-H2O]+ 351.05701 177.1
[M+HCOO]- 413.05795 195.9
[M+CH3COO]- 427.07360 212.7
[M+Na-2H]- 389.03442 182.4
[M]+ 368.05920 190.4
[M]- 368.06030 190.4
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.