CID 16076468

N1-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n2-[(1s,2s,3s,5r)-2,6,6-trimethylnorpinan-3-yl]propane-1,2-diamine

Structural Information

Molecular Formula
C23H42N2
SMILES
C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1NC(C)CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C
InChI
InChI=1S/C23H42N2/c1-14(25-21-11-18-10-19(15(21)2)23(18,5)6)12-24-13-16-7-8-17-9-20(16)22(17,3)4/h14-21,24-25H,7-13H2,1-6H3/t14?,15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey
ROYYJGSWQGTMIS-MAMDCMCKSA-N
Compound name
1-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-2-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.3348 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.34208 233.4
[M+Na]+ 369.32402 230.6
[M-H]- 345.32752 229.5
[M+NH4]+ 364.36862 242.9
[M+K]+ 385.29796 231.5
[M+H-H2O]+ 329.33206 217.4
[M+HCOO]- 391.33300 231.3
[M+CH3COO]- 405.34865 234.0
[M+Na-2H]- 367.30947 232.6
[M]+ 346.33425 248.8
[M]- 346.33535 248.8
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.