CID 224773

N-[2-(dodecanoylamino)ethyl]dodecanamide

Structural Information

Molecular Formula
C26H52N2O2
SMILES
CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC
InChI
InChI=1S/C26H52N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
HETBCUMLBCUVKC-UHFFFAOYSA-N
Compound name
N-[2-(dodecanoylamino)ethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2816
Patents

424.4029 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.41018 220.2
[M+Na]+ 447.39212 217.4
[M-H]- 423.39562 216.6
[M+NH4]+ 442.43672 234.4
[M+K]+ 463.36606 212.8
[M+H-H2O]+ 407.40016 211.0
[M+HCOO]- 469.40110 240.9
[M+CH3COO]- 483.41675 239.2
[M+Na-2H]- 445.37757 214.8
[M]+ 424.40235 227.3
[M]- 424.40345 227.3
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

patents stripe