CID 16076622

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

Structural Information

Molecular Formula
C22H34N2
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NCCNCCC4=CC=CC=C4
InChI
InChI=1S/C22H34N2/c1-17(22-14-19-11-20(15-22)13-21(12-19)16-22)24-10-9-23-8-7-18-5-3-2-4-6-18/h2-6,17,19-21,23-24H,7-16H2,1H3
InChIKey
YYLRVVOFTXHWRJ-UHFFFAOYSA-N
Compound name
N'-[1-(1-adamantyl)ethyl]-N-(2-phenylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2722 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.27948 177.2
[M+Na]+ 349.26142 174.5
[M-H]- 325.26492 173.6
[M+NH4]+ 344.30602 196.8
[M+K]+ 365.23536 169.4
[M+H-H2O]+ 309.26946 167.9
[M+HCOO]- 371.27040 183.5
[M+CH3COO]- 385.28605 182.3
[M+Na-2H]- 347.24687 185.6
[M]+ 326.27165 175.1
[M]- 326.27275 175.1
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.