CID 458634

3560-47-2

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C
InChI
InChI=1S/C11H16N2O3S/c1-9-3-5-11(6-4-9)17(15,16)13-8-7-12-10(2)14/h3-6,13H,7-8H2,1-2H3,(H,12,14)
InChIKey
PTBWCCBXNAHVBI-UHFFFAOYSA-N
Compound name
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

256.08817 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 155.8
[M+Na]+ 279.07739 162.1
[M-H]- 255.08089 159.4
[M+NH4]+ 274.12199 172.5
[M+K]+ 295.05133 159.0
[M+H-H2O]+ 239.08543 149.1
[M+HCOO]- 301.08637 174.9
[M+CH3COO]- 315.10202 196.3
[M+Na-2H]- 277.06284 159.6
[M]+ 256.08762 158.2
[M]- 256.08872 158.2
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

patents stripe