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 167.0
[M+Na]+ 318.08828 172.8
[M-H]- 294.09178 173.5
[M+NH4]+ 313.13288 182.9
[M+K]+ 334.06222 169.7
[M+H-H2O]+ 278.09632 159.2
[M+HCOO]- 340.09726 185.5
[M+CH3COO]- 354.11291 202.3
[M+Na-2H]- 316.07373 169.1
[M]+ 295.09851 167.5
[M]- 295.09961 167.5
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.