CID 392405

Nsc692769

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)NOCC2=CC=CC=C2
InChI
InChI=1S/C20H25NO3/c1-2-3-4-8-15-23-19-13-11-18(12-14-19)20(22)21-24-16-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,21,22)
InChIKey
UHPVWQUTZDTIKG-UHFFFAOYSA-N
Compound name
4-hexoxy-N-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 180.3
[M+Na]+ 350.17266 184.0
[M-H]- 326.17616 185.7
[M+NH4]+ 345.21726 193.4
[M+K]+ 366.14660 180.3
[M+H-H2O]+ 310.18070 170.9
[M+HCOO]- 372.18164 203.4
[M+CH3COO]- 386.19729 211.4
[M+Na-2H]- 348.15811 183.5
[M]+ 327.18289 183.8
[M]- 327.18399 183.8
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.