CID 3065261

Benzeneacetamide, 4-hydroxy-3-methoxy-n-nonyl-

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-12-19-18(21)14-15-10-11-16(20)17(13-15)22-2/h10-11,13,20H,3-9,12,14H2,1-2H3,(H,19,21)
InChIKey
ZJLSZFFLFLFHLB-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

307.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 177.7
[M+Na]+ 330.203968 181.7
[M-H]- 306.207474 178.9
[M+NH4]+ 325.248573 191.9
[M+K]+ 346.177908 178.2
[M+H-H2O]+ 290.212010 170.1
[M+HCOO]- 352.212951 198.6
[M+CH3COO]- 366.228601 208.5
[M+Na-2H]- 328.189416 178.2
[M]+ 307.21420142 181.9
[M]- 307.21529858 181.9
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