CID 16076733

N1-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n2-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]propane-1,2-diamine

Structural Information

Molecular Formula
C23H42N2
SMILES
CC(CNC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)N[C@H]3C[C@H]4CC[C@@]3(C4(C)C)C
InChI
InChI=1S/C23H42N2/c1-15(25-20-12-18-9-10-23(20,6)22(18,4)5)13-24-14-16-7-8-17-11-19(16)21(17,2)3/h15-20,24-25H,7-14H2,1-6H3/t15?,16-,17-,18+,19-,20-,23-/m0/s1
InChIKey
DHBPCENNCRFRAE-OGHNRYJYSA-N
Compound name
1-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-2-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.3348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.34208 204.0
[M+Na]+ 369.32402 205.1
[M-H]- 345.32752 203.8
[M+NH4]+ 364.36862 224.6
[M+K]+ 385.29796 201.4
[M+H-H2O]+ 329.33206 195.0
[M+HCOO]- 391.33300 210.7
[M+CH3COO]- 405.34865 209.7
[M+Na-2H]- 367.30947 203.5
[M]+ 346.33425 212.5
[M]- 346.33535 212.5
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.