CID 479378

2,8-bis[[4-(2-pyridyl)-1-piperazinyl]methyl]phenazine

Structural Information

Molecular Formula
C32H34N8
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)N=C4C=CC(=CC4=N3)CN5CCN(CC5)C6=CC=CC=N6)C7=CC=CC=N7
InChI
InChI=1S/C32H34N8/c1-3-11-33-31(5-1)39-17-13-37(14-18-39)23-25-7-9-27-29(21-25)36-30-22-26(8-10-28(30)35-27)24-38-15-19-40(20-16-38)32-6-2-4-12-34-32/h1-12,21-22H,13-20,23-24H2
InChIKey
UYXCIYSTHJWBQM-UHFFFAOYSA-N
Compound name
2,8-bis[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

530.29065 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.29793 236.0
[M+Na]+ 553.27987 239.2
[M-H]- 529.28337 239.0
[M+NH4]+ 548.32447 229.6
[M+K]+ 569.25381 225.7
[M+H-H2O]+ 513.28791 214.8
[M+HCOO]- 575.28885 237.1
[M+CH3COO]- 589.30450 236.1
[M+Na-2H]- 551.26532 237.4
[M]+ 530.29010 227.1
[M]- 530.29120 227.1
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.