CID 25113201

8004-99-7

Structural Information

Molecular Formula
C30H25N6
SMILES
C1=CC=C(C=C1)NC2=C(C=C3C(=C2)N=C4C=C(C(=CC4=[N+]3C5=CC=CC=C5)N)N)NC6=CC=CC=C6
InChI
InChI=1S/C30H24N6/c31-23-16-27-29(17-24(23)32)36(22-14-8-3-9-15-22)30-19-26(34-21-12-6-2-7-13-21)25(18-28(30)35-27)33-20-10-4-1-5-11-20/h1-19H,(H5,31,32,33,34,35)/p+1
InChIKey
LEVWPOFWBQVLNQ-UHFFFAOYSA-O
Compound name
7-N,8-N,5-triphenylphenazin-5-ium-2,3,7,8-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1458
Patents

469.21408 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.22136 212.7
[M+Na]+ 492.20330 219.1
[M-H]- 468.20680 223.4
[M+NH4]+ 487.24790 216.9
[M+K]+ 508.17724 203.8
[M+H-H2O]+ 452.21134 201.1
[M+HCOO]- 514.21228 233.2
[M+CH3COO]- 528.22793 219.2
[M+Na-2H]- 490.18875 223.4
[M]+ 469.21353 208.7
[M]- 469.21463 208.7
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

No patent data available for this compound.