CID 16076261

N'-(2,3-dimethylcyclohexyl)-n-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H38N2
SMILES
CC1CCCC(C1C)NCCNC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C
InChI
InChI=1S/C20H38N2/c1-14-6-5-7-19(15(14)2)22-11-10-21-13-16-8-9-17-12-18(16)20(17,3)4/h14-19,21-22H,5-13H2,1-4H3/t14?,15?,16-,17-,18-,19?/m0/s1
InChIKey
CWBKUIAWWIAMSC-AUGPVTCCSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-(2,3-dimethylcyclohexyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 189.0
[M+Na]+ 329.29272 188.6
[M-H]- 305.29622 188.8
[M+NH4]+ 324.33732 203.0
[M+K]+ 345.26666 187.7
[M+H-H2O]+ 289.30076 177.4
[M+HCOO]- 351.30170 197.4
[M+CH3COO]- 365.31735 221.9
[M+Na-2H]- 327.27817 191.5
[M]+ 306.30295 195.1
[M]- 306.30405 195.1
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.