CID 5279605

Methyl-bis(4-pyridyl)[?]

Structural Information

Molecular Formula
C22H16N8
SMILES
CC1C2=NN=C(N2C3=CC=CC=C3N4C1=NN=C4C5=CC=NC=C5)C6=CC=NC=C6
InChI
InChI=1S/C22H16N8/c1-14-19-25-27-21(15-6-10-23-11-7-15)29(19)17-4-2-3-5-18(17)30-20(14)26-28-22(30)16-8-12-24-13-9-16/h2-14H,1H3
InChIKey
IIEKICHDAUTMMR-UHFFFAOYSA-N
Compound name
7-methyl-3,11-dipyridin-4-yl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.14978 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15706 198.2
[M+Na]+ 415.13900 212.1
[M-H]- 391.14250 204.3
[M+NH4]+ 410.18360 205.0
[M+K]+ 431.11294 204.7
[M+H-H2O]+ 375.14704 183.1
[M+HCOO]- 437.14798 211.8
[M+CH3COO]- 451.16363 206.6
[M+Na-2H]- 413.12445 201.5
[M]+ 392.14923 199.4
[M]- 392.15033 199.4
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

No patent data available for this compound.