CID 16076272

N-(1-adamantylmethyl)-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanamine

Structural Information

Molecular Formula
C23H40N2
SMILES
CC1(CC2CC(C1)(CN2CCNCC34CC5CC(C3)CC(C5)C4)C)C
InChI
InChI=1S/C23H40N2/c1-21(2)12-20-13-22(3,14-21)16-25(20)5-4-24-15-23-9-17-6-18(10-23)8-19(7-17)11-23/h17-20,24H,4-16H2,1-3H3
InChIKey
MVODQPJVFMDPGZ-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.31915 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.32643 183.8
[M+Na]+ 367.30837 183.2
[M-H]- 343.31187 178.0
[M+NH4]+ 362.35297 208.2
[M+K]+ 383.28231 175.8
[M+H-H2O]+ 327.31641 171.8
[M+HCOO]- 389.31735 182.3
[M+CH3COO]- 403.33300 187.8
[M+Na-2H]- 365.29382 187.7
[M]+ 344.31860 180.0
[M]- 344.31970 180.0
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.