CID 43405474

N-[4-(pyrrolidine-1-sulfonyl)phenyl]prop-2-enamide

Structural Information

Molecular Formula
C13H16N2O3S
SMILES
C=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2
InChI
InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16)
InChIKey
YWRDIVXHYHFOLT-UHFFFAOYSA-N
Compound name
N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

280.08817 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09545 163.5
[M+Na]+ 303.07739 172.0
[M+NH4]+ 298.12199 169.6
[M+K]+ 319.05133 167.3
[M-H]- 279.08089 164.5
[M+Na-2H]- 301.06284 167.9
[M]+ 280.08762 165.1
[M]- 280.08872 165.1
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

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