CID 4363809

1-imidazol-1-yldocosan-1-one

Structural Information

Molecular Formula
C25H46N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N1C=CN=C1
InChI
InChI=1S/C25H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)27-23-22-26-24-27/h22-24H,2-21H2,1H3
InChIKey
NAZHHBNDIVCGOI-UHFFFAOYSA-N
Compound name
1-imidazol-1-yldocosan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.36102 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.36830 209.1
[M+Na]+ 413.35024 209.6
[M-H]- 389.35374 206.7
[M+NH4]+ 408.39484 219.6
[M+K]+ 429.32418 204.1
[M+H-H2O]+ 373.35828 198.5
[M+HCOO]- 435.35922 225.8
[M+CH3COO]- 449.37487 225.6
[M+Na-2H]- 411.33569 205.1
[M]+ 390.36047 216.6
[M]- 390.36157 216.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.