CID 6437097

Einecs 222-553-9

Structural Information

Molecular Formula
C26H53N5
SMILES
CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCNCCNCCN
InChI
InChI=1S/C26H53N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-30-23-25-31(26)24-22-29-21-20-28-19-18-27/h9-10,28-29H,2-8,11-25,27H2,1H3/b10-9+
InChIKey
NINKGRYZTNGWOE-MDZDMXLPSA-N
Compound name
N'-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

435.43008 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.43736 215.3
[M+Na]+ 458.41930 212.8
[M-H]- 434.42280 212.1
[M+NH4]+ 453.46390 222.9
[M+K]+ 474.39324 206.3
[M+H-H2O]+ 418.42734 203.6
[M+HCOO]- 480.42828 233.6
[M+CH3COO]- 494.44393 241.7
[M+Na-2H]- 456.40475 211.6
[M]+ 435.42953 218.1
[M]- 435.43063 218.1
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.