CID 3040998

N-heptyl-4-hydroxy-3-methoxybenzeneacetamide

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C16H25NO3/c1-3-4-5-6-7-10-17-16(19)12-13-8-9-14(18)15(11-13)20-2/h8-9,11,18H,3-7,10,12H2,1-2H3,(H,17,19)
InChIKey
JEZORZPZXADHPR-UHFFFAOYSA-N
Compound name
N-heptyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

279.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 168.6
[M+Na]+ 302.172658 173.5
[M-H]- 278.176164 170.2
[M+NH4]+ 297.217263 184.0
[M+K]+ 318.146598 170.5
[M+H-H2O]+ 262.180700 161.5
[M+HCOO]- 324.181641 190.2
[M+CH3COO]- 338.197291 202.5
[M+Na-2H]- 300.158106 170.2
[M]+ 279.18289142 172.1
[M]- 279.18398858 172.1
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