CID 165725685

N'-[(adamantan-2-yl)methyl]-4-(pyrimidin-2-yl)piperazine-1-carboximidamide hydrobromide

Structural Information

Molecular Formula
C20H30N6
SMILES
C1CN(CCN1C2=NC=CC=N2)C(=NCC3C4CC5CC(C4)CC3C5)N
InChI
InChI=1S/C20H30N6/c21-19(25-4-6-26(7-5-25)20-22-2-1-3-23-20)24-13-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-3,14-18H,4-13H2,(H2,21,24)
InChIKey
CPJWIYSTNAKFIY-UHFFFAOYSA-N
Compound name
N'-(2-adamantylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2532 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.26048 176.0
[M+Na]+ 377.24242 173.8
[M-H]- 353.24592 170.9
[M+NH4]+ 372.28702 187.3
[M+K]+ 393.21636 169.0
[M+H-H2O]+ 337.25046 163.0
[M+HCOO]- 399.25140 176.5
[M+CH3COO]- 413.26705 179.3
[M+Na-2H]- 375.22787 183.1
[M]+ 354.25265 169.6
[M]- 354.25375 169.6
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.