CID 3058598

75436-91-8

Structural Information

Molecular Formula
C24H25NO3
SMILES
COC1=CC=C(C=C1)C(CCC2=CC=C(C=C2)OC3=CC=CC=C3)CC(=O)N
InChI
InChI=1S/C24H25NO3/c1-27-21-15-11-19(12-16-21)20(17-24(25)26)10-7-18-8-13-23(14-9-18)28-22-5-3-2-4-6-22/h2-6,8-9,11-16,20H,7,10,17H2,1H3,(H2,25,26)
InChIKey
SVYWEMHWAQXEPV-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18344 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 193.2
[M+Na]+ 398.17266 196.8
[M-H]- 374.17616 201.4
[M+NH4]+ 393.21726 203.4
[M+K]+ 414.14660 192.1
[M+H-H2O]+ 358.18070 182.6
[M+HCOO]- 420.18164 214.4
[M+CH3COO]- 434.19729 221.5
[M+Na-2H]- 396.15811 193.8
[M]+ 375.18289 194.1
[M]- 375.18399 194.1
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.