CID 3074879

1h-imidazol-2-amine, 4,5-dihydro-1-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, monohydrobromide

Structural Information

Molecular Formula
C16H25N5
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCN3CCN=C3N
InChI
InChI=1S/C16H25N5/c1-14-4-2-3-5-15(14)20-11-8-19(9-12-20)10-13-21-7-6-18-16(21)17/h2-5H,6-13H2,1H3,(H2,17,18)
InChIKey
YQBYSTPDFYSEBR-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-4,5-dihydroimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.211 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.218276 171.9
[M+Na]+ 310.200218 176.7
[M-H]- 286.203724 174.9
[M+NH4]+ 305.244823 182.9
[M+K]+ 326.174158 171.3
[M+H-H2O]+ 270.208260 160.2
[M+HCOO]- 332.209201 187.0
[M+CH3COO]- 346.224851 180.4
[M+Na-2H]- 308.185666 171.6
[M]+ 287.21045142 165.7
[M]- 287.21154858 165.7
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.