CID 64613

4-pyridinamine, n,3-bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yloxy)-2-ethyl-6-methyl-monohydrochloride

Structural Information

Molecular Formula
C28H40N2O2
SMILES
CCC1=NC(=CC(=C1OC23CC4CC(C2)CC(C4)C3)NOC56CC7CC(C5)CC(C7)C6)C
InChI
InChI=1S/C28H40N2O2/c1-3-24-26(31-27-11-18-5-19(12-27)7-20(6-18)13-27)25(4-17(2)29-24)30-32-28-14-21-8-22(15-28)10-23(9-21)16-28/h4,18-23H,3,5-16H2,1-2H3,(H,29,30)
InChIKey
FGSYJRVZUJNEIS-UHFFFAOYSA-N
Compound name
N,3-bis(1-adamantyloxy)-2-ethyl-6-methylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.309 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.31628 185.0
[M+Na]+ 459.29822 176.5
[M-H]- 435.30172 174.9
[M+NH4]+ 454.34282 201.1
[M+K]+ 475.27216 170.9
[M+H-H2O]+ 419.30626 165.8
[M+HCOO]- 481.30720 172.5
[M+CH3COO]- 495.32285 183.4
[M+Na-2H]- 457.28367 191.1
[M]+ 436.30845 181.9
[M]- 436.30955 181.9
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.