CID 16076557

N-[(2e)-3,7-dimethylocta-2,6-dienyl]-n'-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCNC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C22H40N2/c1-16(2)8-7-9-17(3)10-11-23-12-13-24-21-15-19-14-20(18(21)4)22(19,5)6/h8,10,18-21,23-24H,7,9,11-15H2,1-6H3/b17-10+/t18-,19+,20-,21-/m1/s1
InChIKey
FBLWSMPWCHYMMJ-MYNCGUGDSA-N
Compound name
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]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 209.5
[M+Na]+ 355.30837 208.8
[M-H]- 331.31187 206.2
[M+NH4]+ 350.35297 222.4
[M+K]+ 371.28231 207.3
[M+H-H2O]+ 315.31641 198.7
[M+HCOO]- 377.31735 218.0
[M+CH3COO]- 391.33300 228.4
[M+Na-2H]- 353.29382 208.9
[M]+ 332.31860 219.4
[M]- 332.31970 219.4
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

No patent data available for this compound.