CID 5274428

Sq109

Structural Information

Molecular Formula
C22H38N2
SMILES
CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C
InChI
InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+
InChIKey
JFIBVDBTCDTBRH-REZTVBANSA-N
Compound name
N'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

70
References

42
Patents

330.3035 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 183.0
[M+Na]+ 353.29272 188.3
[M+NH4]+ 348.33732 192.4
[M+K]+ 369.26666 179.6
[M-H]- 329.29622 181.3
[M+Na-2H]- 351.27817 176.2
[M]+ 330.30295 182.8
[M]- 330.30405 182.8
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