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]+ 331.31078 173.3
[M+Na]+ 353.29272 168.3
[M-H]- 329.29622 167.6
[M+NH4]+ 348.33732 191.7
[M+K]+ 369.26666 162.4
[M+H-H2O]+ 313.30076 161.2
[M+HCOO]- 375.30170 170.7
[M+CH3COO]- 389.31735 176.2
[M+Na-2H]- 351.27817 178.6
[M]+ 330.30295 164.3
[M]- 330.30405 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.