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
4
Annotation Hits

73
References

228
Patents

330.3035 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 188.0
[M+Na]+ 353.292718 184.1
[M-H]- 329.296224 180.9
[M+NH4]+ 348.337323 206.1
[M+K]+ 369.266658 179.1
[M+H-H2O]+ 313.300760 181.1
[M+HCOO]- 375.301701 192.0
[M+CH3COO]- 389.317351 226.6
[M+Na-2H]- 351.278166 191.2
[M]+ 330.30295142 186.2
[M]- 330.30404858 186.2
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