CID 6480604

N-[2-[4-(2-adamantylamino)phenyl]ethyl]adamantan-2-amine

Structural Information

Molecular Formula
C28H40N2
SMILES
C1C2CC3CC1CC(C2)C3NCCC4=CC=C(C=C4)NC5C6CC7CC(C6)CC5C7
InChI
InChI=1S/C28H40N2/c1-3-26(30-28-24-13-20-8-21(15-24)16-25(28)14-20)4-2-17(1)5-6-29-27-22-9-18-7-19(11-22)12-23(27)10-18/h1-4,18-25,27-30H,5-16H2
InChIKey
AQHBAWCNOWDLMA-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-adamantylamino)phenyl]ethyl]adamantan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.31915 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32643 170.5
[M+Na]+ 427.30837 159.3
[M-H]- 403.31187 161.3
[M+NH4]+ 422.35297 185.4
[M+K]+ 443.28231 153.4
[M+H-H2O]+ 387.31641 155.9
[M+HCOO]- 449.31735 160.5
[M+CH3COO]- 463.33300 169.2
[M+Na-2H]- 425.29382 176.4
[M]+ 404.31860 163.7
[M]- 404.31970 163.7
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.