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]+ 293.22238 174.2
[M+Na]+ 315.20432 178.2
[M-H]- 291.20782 176.3
[M+NH4]+ 310.24892 189.1
[M+K]+ 331.17826 174.9
[M+H-H2O]+ 275.21236 166.3
[M+HCOO]- 337.21330 197.1
[M+CH3COO]- 351.22895 210.4
[M+Na-2H]- 313.18977 174.9
[M]+ 292.21455 176.6
[M]- 292.21565 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.