CID 9555734

N-(4-(((1-pyrrolidinylmethylene)amino)sulfonyl)phenyl)acetamide

Structural Information

Molecular Formula
C13H17N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C/N2CCCC2
InChI
InChI=1S/C13H17N3O3S/c1-11(17)15-12-4-6-13(7-5-12)20(18,19)14-10-16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/b14-10+
InChIKey
YJZXCMJSHFUCAF-GXDHUFHOSA-N
Compound name
N-[4-[(E)-pyrrolidin-1-ylmethylideneamino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09906 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10634 166.8
[M+Na]+ 318.08828 174.4
[M+NH4]+ 313.13288 172.6
[M+K]+ 334.06222 169.9
[M-H]- 294.09178 168.4
[M+Na-2H]- 316.07373 171.5
[M]+ 295.09851 168.3
[M]- 295.09961 168.3
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.