CID 16076335

N'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]-n-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCN[C@H]3C[C@H]4CC[C@@]3(C4(C)C)C
InChI
InChI=1S/C22H40N2/c1-14-17-11-16(20(17,2)3)12-18(14)23-9-10-24-19-13-15-7-8-22(19,6)21(15,4)5/h14-19,23-24H,7-13H2,1-6H3/t14-,15-,16+,17-,18-,19+,22+/m1/s1
InChIKey
DWRHMBGBGOHVCE-UEURJDKPSA-N
Compound name
N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-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 197.1
[M+Na]+ 355.30837 199.9
[M-H]- 331.31187 197.6
[M+NH4]+ 350.35297 218.7
[M+K]+ 371.28231 195.8
[M+H-H2O]+ 315.31641 188.5
[M+HCOO]- 377.31735 205.2
[M+CH3COO]- 391.33300 203.9
[M+Na-2H]- 353.29382 198.0
[M]+ 332.31860 206.4
[M]- 332.31970 206.4
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.