CID 22692237

4-amino-n-[4-(benzyloxy)phenyl]butanamide

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCCN
InChI
InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
InChIKey
QTWBKNVNGVYTNZ-UHFFFAOYSA-N
Compound name
4-amino-N-(4-phenylmethoxyphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

284.15247 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.1
[M+Na]+ 307.14169 171.5
[M-H]- 283.14519 172.6
[M+NH4]+ 302.18629 181.5
[M+K]+ 323.11563 167.5
[M+H-H2O]+ 267.14973 158.4
[M+HCOO]- 329.15067 191.5
[M+CH3COO]- 343.16632 204.9
[M+Na-2H]- 305.12714 171.4
[M]+ 284.15192 166.6
[M]- 284.15302 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe