CID 16076337

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

Structural Information

Molecular Formula
C22H38N2
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCNC3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C22H38N2/c1-13-19-11-18(22(19,2)3)12-20(13)23-4-5-24-21-16-7-14-6-15(9-16)10-17(21)8-14/h13-21,23-24H,4-12H2,1-3H3/t13-,14?,15?,16?,17?,18+,19-,20-,21?/m1/s1
InChIKey
UKLZQNXTUKVNBB-MULZNWDBSA-N
Compound name
N'-(2-adamantyl)-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

330.3035 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 202.0
[M+Na]+ 353.292718 196.6
[M-H]- 329.296224 194.4
[M+NH4]+ 348.337323 217.3
[M+K]+ 369.266658 194.5
[M+H-H2O]+ 313.300760 187.2
[M+HCOO]- 375.301701 196.7
[M+CH3COO]- 389.317351 202.7
[M+Na-2H]- 351.278166 205.7
[M]+ 330.30295142 207.2
[M]- 330.30404858 207.2
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.