CID 479377

2,8-bis(4-benzyl-1-piperazinylmethyl)phenazine

Structural Information

Molecular Formula
C36H40N6
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=C(C=C3)N=C5C=CC(=CC5=N4)CN6CCN(CC6)CC7=CC=CC=C7
InChI
InChI=1S/C36H40N6/c1-3-7-29(8-4-1)25-39-15-19-41(20-16-39)27-31-11-13-33-35(23-31)38-36-24-32(12-14-34(36)37-33)28-42-21-17-40(18-22-42)26-30-9-5-2-6-10-30/h1-14,23-24H,15-22,25-28H2
InChIKey
SBYIVAHBYYOEJP-UHFFFAOYSA-N
Compound name
2,8-bis[(4-benzylpiperazin-1-yl)methyl]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

556.3314 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.33868 243.2
[M+Na]+ 579.32062 244.5
[M-H]- 555.32412 247.9
[M+NH4]+ 574.36522 238.2
[M+K]+ 595.29456 231.4
[M+H-H2O]+ 539.32866 222.0
[M+HCOO]- 601.32960 245.7
[M+CH3COO]- 615.34525 243.2
[M+Na-2H]- 577.30607 242.5
[M]+ 556.33085 234.3
[M]- 556.33195 234.3
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.