CID 16076567

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

Structural Information

Molecular Formula
C26H34N2
SMILES
C1C2CC3CC1CC(C2)(C3)NCCNCC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H34N2/c1-3-7-23(8-4-1)25(24-9-5-2-6-10-24)19-27-11-12-28-26-16-20-13-21(17-26)15-22(14-20)18-26/h1-10,20-22,25,27-28H,11-19H2
InChIKey
NECPVHCOPNHACI-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-(2,2-diphenylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2722 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27948 182.6
[M+Na]+ 397.26142 179.3
[M-H]- 373.26492 181.7
[M+NH4]+ 392.30602 199.5
[M+K]+ 413.23536 173.1
[M+H-H2O]+ 357.26946 171.1
[M+HCOO]- 419.27040 189.0
[M+CH3COO]- 433.28605 187.1
[M+Na-2H]- 395.24687 191.5
[M]+ 374.27165 179.2
[M]- 374.27275 179.2
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.