CID 3024586

9-octadecynamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-

Structural Information

Molecular Formula
C26H41NO3
SMILES
CCCCCCCCC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C26H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
InChIKey
BBRZZCYVWKZJJY-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

415.30865 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.31593 204.6
[M+Na]+ 438.29787 208.4
[M-H]- 414.30137 203.3
[M+NH4]+ 433.34247 213.1
[M+K]+ 454.27181 201.8
[M+H-H2O]+ 398.30591 190.3
[M+HCOO]- 460.30685 217.7
[M+CH3COO]- 474.32250 232.2
[M+Na-2H]- 436.28332 200.9
[M]+ 415.30810 204.7
[M]- 415.30920 204.7
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