CID 16076262

N-[[(1r,2s,5r)-6,6-dimethylnorpinan-2-yl]methyl]-n'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
CC1([C@@H]2CC[C@@H]([C@H]1C2)CNCCNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C
InChI
InChI=1S/C22H40N2/c1-21(2)17-7-5-15(19(21)11-17)13-23-9-10-24-14-16-6-8-18-12-20(16)22(18,3)4/h15-20,23-24H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+
InChIKey
IXXBIHAHORTUBR-YUNYCSSDSA-N
Compound name
N-[[(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.31915 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 222.9
[M+Na]+ 355.30837 220.4
[M-H]- 331.31187 219.1
[M+NH4]+ 350.35297 232.9
[M+K]+ 371.28231 220.9
[M+H-H2O]+ 315.31641 206.7
[M+HCOO]- 377.31735 222.4
[M+CH3COO]- 391.33300 224.2
[M+Na-2H]- 353.29382 224.6
[M]+ 332.31860 238.6
[M]- 332.31970 238.6
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.