CID 58538

101564-94-7

Structural Information

Molecular Formula
C13H15Br2N3
SMILES
C1CCC2=C(C1)C(=CC(=C2NC3=NCCN3)Br)Br
InChI
InChI=1S/C13H15Br2N3/c14-10-7-11(15)12(18-13-16-5-6-17-13)9-4-2-1-3-8(9)10/h7H,1-6H2,(H2,16,17,18)
InChIKey
LHOCXLBZEMIZAD-UHFFFAOYSA-N
Compound name
N-(2,4-dibromo-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

370.96326 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.97054 162.9
[M+Na]+ 393.95248 171.5
[M-H]- 369.95598 169.1
[M+NH4]+ 388.99708 179.1
[M+K]+ 409.92642 155.4
[M+H-H2O]+ 353.96052 169.9
[M+HCOO]- 415.96146 174.5
[M+CH3COO]- 429.97711 174.3
[M+Na-2H]- 391.93793 167.4
[M]+ 370.96271 192.1
[M]- 370.96381 192.1
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.