CID 201352

Methanesulfonamide, n-(5-amino-2-(octyloxy)benzyl)-

Structural Information

Molecular Formula
C16H28N2O3S
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CNS(=O)(=O)C
InChI
InChI=1S/C16H28N2O3S/c1-3-4-5-6-7-8-11-21-16-10-9-15(17)12-14(16)13-18-22(2,19)20/h9-10,12,18H,3-8,11,13,17H2,1-2H3
InChIKey
IWJVIFKPCMCZBF-UHFFFAOYSA-N
Compound name
N-[(5-amino-2-octoxyphenyl)methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.18207 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18935 177.9
[M+Na]+ 351.17129 182.8
[M-H]- 327.17479 180.1
[M+NH4]+ 346.21589 191.8
[M+K]+ 367.14523 178.3
[M+H-H2O]+ 311.17933 170.2
[M+HCOO]- 373.18027 195.5
[M+CH3COO]- 387.19592 212.7
[M+Na-2H]- 349.15674 178.8
[M]+ 328.18152 182.9
[M]- 328.18262 182.9
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.