CID 479376

2,8-bis[(2,6-dimethylpiperazin-1-yl)methyl]phenazine

Structural Information

Molecular Formula
C26H36N6
SMILES
CC1CNCC(N1CC2=CC3=C(C=C2)N=C4C=CC(=CC4=N3)CN5C(CNCC5C)C)C
InChI
InChI=1S/C26H36N6/c1-17-11-27-12-18(2)31(17)15-21-5-7-23-25(9-21)30-26-10-22(6-8-24(26)29-23)16-32-19(3)13-28-14-20(32)4/h5-10,17-20,27-28H,11-16H2,1-4H3
InChIKey
YPOUBQAHYSRINC-UHFFFAOYSA-N
Compound name
2,8-bis[(2,6-dimethylpiperazin-1-yl)methyl]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.30014 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.30742 220.6
[M+Na]+ 455.28936 226.1
[M-H]- 431.29286 219.8
[M+NH4]+ 450.33396 222.3
[M+K]+ 471.26330 214.7
[M+H-H2O]+ 415.29740 205.6
[M+HCOO]- 477.29834 222.4
[M+CH3COO]- 491.31399 223.4
[M+Na-2H]- 453.27481 218.6
[M]+ 432.29959 213.1
[M]- 432.30069 213.1
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.