CID 201349

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

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CNC(=O)C
InChI
InChI=1S/C17H28N2O2/c1-3-4-5-6-7-8-11-21-17-10-9-16(18)12-15(17)13-19-14(2)20/h9-10,12H,3-8,11,13,18H2,1-2H3,(H,19,20)
InChIKey
CTUAWSDKXRLPBW-UHFFFAOYSA-N
Compound name
N-[(5-amino-2-octoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 174.2
[M+Na]+ 315.204318 178.2
[M-H]- 291.207824 176.3
[M+NH4]+ 310.248923 189.1
[M+K]+ 331.178258 174.9
[M+H-H2O]+ 275.212360 166.3
[M+HCOO]- 337.213301 197.1
[M+CH3COO]- 351.228951 210.4
[M+Na-2H]- 313.189766 174.9
[M]+ 292.21455142 176.6
[M]- 292.21564858 176.6
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.