CID 16076364

N-[(2e)-3,7-dimethylocta-2,6-dienyl]-n'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
CC(=CCC/C(=C/CNCCN[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C)/C)C
InChI
InChI=1S/C22H40N2/c1-17(2)8-7-9-18(3)11-13-23-14-15-24-20-16-19-10-12-22(20,6)21(19,4)5/h8,11,19-20,23-24H,7,9-10,12-16H2,1-6H3/b18-11+/t19-,20+,22+/m1/s1
InChIKey
JEKGTJDUIUWBLD-FLKDBGAJSA-N
Compound name
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.31915 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 190.1
[M+Na]+ 355.30837 192.6
[M-H]- 331.31187 191.2
[M+NH4]+ 350.35297 212.6
[M+K]+ 371.28231 187.4
[M+H-H2O]+ 315.31641 185.6
[M+HCOO]- 377.31735 207.2
[M+CH3COO]- 391.33300 220.2
[M+Na-2H]- 353.29382 187.5
[M]+ 332.31860 189.3
[M]- 332.31970 189.3
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.