CID 54592502

2-chloro-n-{3-[n-(propan-2-yl)methanesulfonamido]propyl}acetamide

Structural Information

Molecular Formula
C9H19ClN2O3S
SMILES
CC(C)N(CCCNC(=O)CCl)S(=O)(=O)C
InChI
InChI=1S/C9H19ClN2O3S/c1-8(2)12(16(3,14)15)6-4-5-11-9(13)7-10/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey
WXDSUTBNSREPRQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0805 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08778 159.1
[M+Na]+ 293.06972 164.4
[M-H]- 269.07322 160.7
[M+NH4]+ 288.11432 176.7
[M+K]+ 309.04366 162.4
[M+H-H2O]+ 253.07776 154.1
[M+HCOO]- 315.07870 172.1
[M+CH3COO]- 329.09435 201.6
[M+Na-2H]- 291.05517 159.6
[M]+ 270.07995 165.3
[M]- 270.08105 165.3
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.