CID 16076822

N'-[1-(1-adamantyl)ethyl]-n-[(1s)-1-cyclohexylethyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
C[C@@H](C1CCCCC1)NCCNC(C)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H40N2/c1-16(21-6-4-3-5-7-21)23-8-9-24-17(2)22-13-18-10-19(14-22)12-20(11-18)15-22/h16-21,23-24H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,22?/m0/s1
InChIKey
KUWYYDASXBNPEV-UUFSNNOVSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-[(1S)-1-cyclohexylethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.31915 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 180.6
[M+Na]+ 355.30837 174.5
[M-H]- 331.31187 175.4
[M+NH4]+ 350.35297 199.4
[M+K]+ 371.28231 170.4
[M+H-H2O]+ 315.31641 171.7
[M+HCOO]- 377.31735 181.3
[M+CH3COO]- 391.33300 183.8
[M+Na-2H]- 353.29382 184.7
[M]+ 332.31860 173.5
[M]- 332.31970 173.5
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.