CID 14553

Dipyrido(1,2-a:2',1'-c)pyrazinediium, dibromide, monohydrate

Structural Information

Molecular Formula
C12H10N2
SMILES
C1=CC2=C3C=CC=CN3C=CN2C=C1
InChI
InChI=1S/C12H10N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-10H
InChIKey
MSDXGKHMUSAIHM-UHFFFAOYSA-N
Compound name
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0844 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.091676 136.7
[M+Na]+ 205.073618 145.7
[M-H]- 181.077124 139.1
[M+NH4]+ 200.118223 155.9
[M+K]+ 221.047558 141.1
[M+H-H2O]+ 165.081660 128.4
[M+HCOO]- 227.082601 155.9
[M+CH3COO]- 241.098251 149.5
[M+Na-2H]- 203.059066 148.1
[M]+ 182.08385142 135.0
[M]- 182.08494858 135.0
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

patents stripe