CID 6510218

124869-79-0

Structural Information

Molecular Formula
C13H17N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C\2/CCCN2C
InChI
InChI=1S/C13H17N3O3S/c1-10(17)14-11-5-7-12(8-6-11)20(18,19)15-13-4-3-9-16(13)2/h5-8H,3-4,9H2,1-2H3,(H,14,17)/b15-13-
InChIKey
PDIKGBWNJGOYCM-SQFISAMPSA-N
Compound name
N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09906 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10634 167.1
[M+Na]+ 318.08828 175.1
[M+NH4]+ 313.13288 173.0
[M+K]+ 334.06222 170.8
[M-H]- 294.09178 168.8
[M+Na-2H]- 316.07373 171.6
[M]+ 295.09851 168.7
[M]- 295.09961 168.7
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.