CID 497346

Acetamide,n-[2-[(2-acetyl-1h-pyrrol-1-yl)sulfonyl]-4-chlorophenyl]-

Structural Information

Molecular Formula
C14H13ClN2O4S
SMILES
CC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C
InChI
InChI=1S/C14H13ClN2O4S/c1-9(18)13-4-3-7-17(13)22(20,21)14-8-11(15)5-6-12(14)16-10(2)19/h3-8H,1-2H3,(H,16,19)
InChIKey
JFXPDGPTJHOFLR-UHFFFAOYSA-N
Compound name
N-[2-(2-acetylpyrrol-1-yl)sulfonyl-4-chlorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.02844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03572 174.6
[M+Na]+ 363.01766 184.1
[M-H]- 339.02116 181.3
[M+NH4]+ 358.06226 189.8
[M+K]+ 378.99160 179.2
[M+H-H2O]+ 323.02570 168.6
[M+HCOO]- 385.02664 187.7
[M+CH3COO]- 399.04229 206.9
[M+Na-2H]- 361.00311 174.4
[M]+ 340.02789 180.9
[M]- 340.02899 180.9
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.