CID 3084553

Dibenzo(a,h)phenazine-1,8-diol, tetrabromo-

Structural Information

Molecular Formula
C20H8Br4N2O2
SMILES
C1=CC(=C2C=C(C3=C(C2=C1O)N=C4C=C(C5=CC(=CC(=O)C5=C4N3)Br)Br)Br)Br
InChI
InChI=1S/C20H8Br4N2O2/c21-7-3-8-11(23)6-13-19(17(8)15(28)4-7)26-18-12(24)5-9-10(22)1-2-14(27)16(9)20(18)25-13/h1-6,26-27H
InChIKey
LIWNTKATTCSPPB-UHFFFAOYSA-N
Compound name
7,10,19,22-tetrabromo-16-hydroxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3,6,8,10,12,15,17,19,21-decaen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.73193 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.73921 157.5
[M+Na]+ 646.72115 162.4
[M-H]- 622.72465 161.0
[M+NH4]+ 641.76575 164.9
[M+K]+ 662.69509 152.9
[M+H-H2O]+ 606.72919 175.4
[M+HCOO]- 668.73013 160.7
[M+CH3COO]- 682.74578 163.8
[M+Na-2H]- 644.70660 161.1
[M]+ 623.73138 196.2
[M]- 623.73248 196.2
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.