CID 58561

101587-77-3

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1=CC=C(C=C1)C(=O)NCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C17H20N2O2/c18-15-8-10-16(11-9-15)21-13-5-4-12-19-17(20)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13,18H2,(H,19,20)
InChIKey
DAGGGFKBDHQUTR-UHFFFAOYSA-N
Compound name
N-[4-(4-aminophenoxy)butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 167.1
[M+Na]+ 307.141688 171.5
[M-H]- 283.145194 172.6
[M+NH4]+ 302.186293 181.5
[M+K]+ 323.115628 167.5
[M+H-H2O]+ 267.149730 158.4
[M+HCOO]- 329.150671 191.5
[M+CH3COO]- 343.166321 204.9
[M+Na-2H]- 305.127136 171.4
[M]+ 284.15192142 166.6
[M]- 284.15301858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.