CID 28967

18220-69-4

Structural Information

Molecular Formula
C22H36N2
SMILES
CNC12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)NC
InChI
InChI=1S/C22H36N2/c1-23-21-9-15-3-16(10-21)6-19(5-15,13-21)20-7-17-4-18(8-20)12-22(11-17,14-20)24-2/h15-18,23-24H,3-14H2,1-2H3
InChIKey
RFZPLLLYXVWISV-UHFFFAOYSA-N
Compound name
N-methyl-3-[3-(methylamino)-1-adamantyl]adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.28784 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29512 169.2
[M+Na]+ 351.27706 163.6
[M-H]- 327.28056 158.3
[M+NH4]+ 346.32166 193.6
[M+K]+ 367.25100 156.1
[M+H-H2O]+ 311.28510 150.8
[M+HCOO]- 373.28604 159.2
[M+CH3COO]- 387.30169 169.5
[M+Na-2H]- 349.26251 178.1
[M]+ 328.28729 163.8
[M]- 328.28839 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.