CID 13373715

6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C13H10BrN5
SMILES
C1=CC=C2C=C(C(=CC2=C1)C3=NC(=NC(=N3)N)N)Br
InChI
InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)
InChIKey
RXSSKAZHCZWJPP-UHFFFAOYSA-N
Compound name
6-(3-bromonaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

315.01196 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.019236 161.7
[M+Na]+ 338.001178 174.3
[M-H]- 314.004684 167.6
[M+NH4]+ 333.045783 176.2
[M+K]+ 353.975118 160.3
[M+H-H2O]+ 298.009220 158.4
[M+HCOO]- 360.010161 180.5
[M+CH3COO]- 374.025811 174.4
[M+Na-2H]- 335.986626 170.4
[M]+ 315.01141142 177.7
[M]- 315.01250858 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe