CID 3040997

Brn 2993315

Structural Information

Molecular Formula
C21H35NO3
SMILES
CCCCCCCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-15-22-21(24)17-18-13-14-19(23)20(16-18)25-2/h13-14,16,23H,3-12,15,17H2,1-2H3,(H,22,24)
InChIKey
RKJUCUQACSSXQI-UHFFFAOYSA-N
Compound name
N-dodecyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

349.2617 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26898 191.2
[M+Na]+ 372.25092 193.8
[M-H]- 348.25442 191.7
[M+NH4]+ 367.29552 203.6
[M+K]+ 388.22486 189.6
[M+H-H2O]+ 332.25896 183.0
[M+HCOO]- 394.25990 211.0
[M+CH3COO]- 408.27555 217.4
[M+Na-2H]- 370.23637 190.1
[M]+ 349.26115 196.4
[M]- 349.26225 196.4
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