CID 59307

N-(3,4-dimethylbenzyl)dodecanamide

Structural Information

Molecular Formula
C21H35NO
SMILES
CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)C)C
InChI
InChI=1S/C21H35NO/c1-4-5-6-7-8-9-10-11-12-13-21(23)22-17-20-15-14-18(2)19(3)16-20/h14-16H,4-13,17H2,1-3H3,(H,22,23)
InChIKey
ZVPBVGLFEPZQCG-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)methyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.27185 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.27913 185.0
[M+Na]+ 340.26107 188.3
[M-H]- 316.26457 187.1
[M+NH4]+ 335.30567 199.7
[M+K]+ 356.23501 183.8
[M+H-H2O]+ 300.26911 177.1
[M+HCOO]- 362.27005 205.9
[M+CH3COO]- 376.28570 216.0
[M+Na-2H]- 338.24652 184.3
[M]+ 317.27130 189.3
[M]- 317.27240 189.3
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

No patent data available for this compound.