CID 58186

Acetamide, n-(5-(p-aminophenoxy)pentyl)-2-cyano-

Structural Information

Molecular Formula
C14H19N3O2
SMILES
C1=CC(=CC=C1N)OCCCCCNC(=O)CC#N
InChI
InChI=1S/C14H19N3O2/c15-9-8-14(18)17-10-2-1-3-11-19-13-6-4-12(16)5-7-13/h4-7H,1-3,8,10-11,16H2,(H,17,18)
InChIKey
FTQZWXKZHXMWQM-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 162.8
[M+Na]+ 284.13696 169.2
[M-H]- 260.14046 164.6
[M+NH4]+ 279.18156 176.7
[M+K]+ 300.11090 166.1
[M+H-H2O]+ 244.14500 148.8
[M+HCOO]- 306.14594 182.8
[M+CH3COO]- 320.16159 211.7
[M+Na-2H]- 282.12241 165.4
[M]+ 261.14719 158.3
[M]- 261.14829 158.3
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.