CID 46991

Adamantane, 5,7-dimethyl-1-(2-methylaminopropyl)-2-phenyl-, hydrochloride

Structural Information

Molecular Formula
C22H33N
SMILES
CC(CC12CC3(CC(C1C4=CC=CC=C4)CC(C3)(C2)C)C)NC
InChI
InChI=1S/C22H33N/c1-16(23-4)10-22-14-20(2)11-18(12-21(3,13-20)15-22)19(22)17-8-6-5-7-9-17/h5-9,16,18-19,23H,10-15H2,1-4H3
InChIKey
DCRRTRRCESWHNE-UHFFFAOYSA-N
Compound name
1-(5,7-dimethyl-2-phenyl-1-adamantyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2613 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.26858 180.7
[M+Na]+ 334.25052 182.3
[M-H]- 310.25402 178.4
[M+NH4]+ 329.29512 205.4
[M+K]+ 350.22446 176.6
[M+H-H2O]+ 294.25856 170.5
[M+HCOO]- 356.25950 185.7
[M+CH3COO]- 370.27515 187.1
[M+Na-2H]- 332.23597 188.6
[M]+ 311.26075 180.1
[M]- 311.26185 180.1
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.