CID 3016124

39957-00-1

Structural Information

Molecular Formula
C26H52N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCC1=NCCN1C(C)O
InChI
InChI=1S/C26H52N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27-23-24-28(26)25(2)29/h25,29H,3-24H2,1-2H3
InChIKey
JYFKEXZEVKCZDQ-UHFFFAOYSA-N
Compound name
1-(2-henicosyl-4,5-dihydroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

408.40796 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.41524 215.8
[M+Na]+ 431.39718 214.9
[M-H]- 407.40068 211.7
[M+NH4]+ 426.44178 225.0
[M+K]+ 447.37112 209.1
[M+H-H2O]+ 391.40522 205.6
[M+HCOO]- 453.40616 228.9
[M+CH3COO]- 467.42181 228.9
[M+Na-2H]- 429.38263 209.2
[M]+ 408.40741 221.4
[M]- 408.40851 221.4
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

patents stripe