CID 64492

Brn 5011805

Structural Information

Molecular Formula
C18H33N3
SMILES
CN1CCN(CC1)CCCNC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H33N3/c1-20-5-7-21(8-6-20)4-2-3-19-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17,19H,2-14H2,1H3
InChIKey
XPKUXYJEKZGQEO-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.26746 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.274736 169.5
[M+Na]+ 314.256678 167.5
[M-H]- 290.260184 163.1
[M+NH4]+ 309.301283 188.3
[M+K]+ 330.230618 163.1
[M+H-H2O]+ 274.264720 158.8
[M+HCOO]- 336.265661 170.5
[M+CH3COO]- 350.281311 174.1
[M+Na-2H]- 312.242126 176.7
[M]+ 291.26691142 164.6
[M]- 291.26800858 164.6
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.