CID 16076370

N'-(1-adamantyl)-n-(1-adamantylmethyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C23H38N2
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C23H38N2/c1(2-25-23-12-19-6-20(13-23)8-21(7-19)14-23)24-15-22-9-16-3-17(10-22)5-18(4-16)11-22/h16-21,24-25H,1-15H2
InChIKey
SABJGJAYUCBARX-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-(1-adamantylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.31078 166.4
[M+Na]+ 365.29272 157.3
[M-H]- 341.29622 154.7
[M+NH4]+ 360.33732 187.1
[M+K]+ 381.26666 150.7
[M+H-H2O]+ 325.30076 150.8
[M+HCOO]- 387.30170 156.5
[M+CH3COO]- 401.31735 165.9
[M+Na-2H]- 363.27817 174.6
[M]+ 342.30295 160.4
[M]- 342.30405 160.4
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.