CID 2414071

736948-74-6

Structural Information

Molecular Formula
C13H13NO4S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2
InChI
InChI=1S/C13H13NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,14H,9H2,1H3
InChIKey
IXVMRHFCCUTRAI-UHFFFAOYSA-N
Compound name
4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.05652 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06380 161.5
[M+Na]+ 302.04574 171.9
[M+NH4]+ 297.09034 168.1
[M+K]+ 318.01968 167.4
[M-H]- 278.04924 164.8
[M+Na-2H]- 300.03119 167.2
[M]+ 279.05597 164.2
[M]- 279.05707 164.2
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

patents stripe