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]+ 183.09168 136.7
[M+Na]+ 205.07362 145.7
[M-H]- 181.07712 139.1
[M+NH4]+ 200.11822 155.9
[M+K]+ 221.04756 141.1
[M+H-H2O]+ 165.08166 128.4
[M+HCOO]- 227.08260 155.9
[M+CH3COO]- 241.09825 149.5
[M+Na-2H]- 203.05907 148.1
[M]+ 182.08385 135.0
[M]- 182.08495 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