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]+ 292.27474 169.5
[M+Na]+ 314.25668 167.5
[M-H]- 290.26018 163.1
[M+NH4]+ 309.30128 188.3
[M+K]+ 330.23062 163.1
[M+H-H2O]+ 274.26472 158.8
[M+HCOO]- 336.26566 170.5
[M+CH3COO]- 350.28131 174.1
[M+Na-2H]- 312.24213 176.7
[M]+ 291.26691 164.6
[M]- 291.26801 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.