CID 3073613

Benzamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-4-pentyl-

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCCCCC1=CC=C(C=C1)C(=O)NCC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C20H25NO3/c1-3-4-5-6-15-7-10-17(11-8-15)20(23)21-14-16-9-12-18(22)19(13-16)24-2/h7-13,22H,3-6,14H2,1-2H3,(H,21,23)
InChIKey
VPOJEZJHEUBUNZ-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-pentylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

327.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 180.2
[M+Na]+ 350.172658 185.5
[M-H]- 326.176164 185.2
[M+NH4]+ 345.217263 193.3
[M+K]+ 366.146598 181.1
[M+H-H2O]+ 310.180700 171.7
[M+HCOO]- 372.181641 201.9
[M+CH3COO]- 386.197291 211.5
[M+Na-2H]- 348.158106 181.6
[M]+ 327.18289142 182.9
[M]- 327.18398858 182.9
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