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]+ 288.21828 171.9
[M+Na]+ 310.20022 176.7
[M-H]- 286.20372 174.9
[M+NH4]+ 305.24482 182.9
[M+K]+ 326.17416 171.3
[M+H-H2O]+ 270.20826 160.2
[M+HCOO]- 332.20920 187.0
[M+CH3COO]- 346.22485 180.4
[M+Na-2H]- 308.18567 171.6
[M]+ 287.21045 165.7
[M]- 287.21155 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.