CID 16076369

2-(3,4,4a,5,6,7,8,8a-octahydro-2h-quinolin-1-yl)-n-(1-adamantylmethyl)ethanamine

Structural Information

Molecular Formula
C22H38N2
SMILES
C1CCC2C(C1)CCCN2CCNCC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H38N2/c1-2-6-21-20(4-1)5-3-8-24(21)9-7-23-16-22-13-17-10-18(14-22)12-19(11-17)15-22/h17-21,23H,1-16H2
InChIKey
MFWJMMIAGXGLOG-UHFFFAOYSA-N
Compound name
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1-adamantylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 173.3
[M+Na]+ 353.292718 168.3
[M-H]- 329.296224 167.6
[M+NH4]+ 348.337323 191.7
[M+K]+ 369.266658 162.4
[M+H-H2O]+ 313.300760 161.2
[M+HCOO]- 375.301701 170.7
[M+CH3COO]- 389.317351 176.2
[M+Na-2H]- 351.278166 178.6
[M]+ 330.30295142 164.3
[M]- 330.30404858 164.3
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.