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]+ 331.31078 202.0
[M+Na]+ 353.29272 196.6
[M-H]- 329.29622 194.4
[M+NH4]+ 348.33732 217.3
[M+K]+ 369.26666 194.5
[M+H-H2O]+ 313.30076 187.2
[M+HCOO]- 375.30170 196.7
[M+CH3COO]- 389.31735 202.7
[M+Na-2H]- 351.27817 205.7
[M]+ 330.30295 207.2
[M]- 330.30405 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.