CID 59284

102280-45-5

Structural Information

Molecular Formula
C13H16BrN3
SMILES
C1CCC2=C(C1)C=CC(=C2NC3=NCCN3)Br
InChI
InChI=1S/C13H16BrN3/c14-11-6-5-9-3-1-2-4-10(9)12(11)17-13-15-7-8-16-13/h5-6H,1-4,7-8H2,(H2,15,16,17)
InChIKey
VGXHVOCGRYACJV-UHFFFAOYSA-N
Compound name
N-(2-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.05276 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06004 161.2
[M+Na]+ 316.04198 170.1
[M-H]- 292.04548 166.8
[M+NH4]+ 311.08658 179.4
[M+K]+ 332.01592 157.3
[M+H-H2O]+ 276.05002 159.4
[M+HCOO]- 338.05096 177.1
[M+CH3COO]- 352.06661 173.3
[M+Na-2H]- 314.02743 166.5
[M]+ 293.05221 173.6
[M]- 293.05331 173.6
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.