CID 16076237

N-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NCCNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C
InChI
InChI=1S/C22H40N2/c1-20(2)16-7-6-15(18(20)12-16)14-23-10-11-24-19-13-17-8-9-22(19,5)21(17,3)4/h15-19,23-24H,6-14H2,1-5H3/t15-,16-,17+,18-,19-,22-/m0/s1
InChIKey
VKXCSJVRHDVRBF-VGDDQXJSSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-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

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 196.5
[M+Na]+ 355.30837 198.5
[M-H]- 331.31187 196.7
[M+NH4]+ 350.35297 217.9
[M+K]+ 371.28231 194.5
[M+H-H2O]+ 315.31641 187.5
[M+HCOO]- 377.31735 204.8
[M+CH3COO]- 391.33300 203.1
[M+Na-2H]- 353.29382 198.0
[M]+ 332.31860 205.5
[M]- 332.31970 205.5
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.