CID 6454643

63537-67-7

Structural Information

Molecular Formula
C20H8Br4N2O2
SMILES
C1=CC2=C(C3=C1C(=CC(=C3O)Br)Br)N=C4C=CC5=C(C=C(C(=O)C5=C4N2)Br)Br
InChI
InChI=1S/C20H8Br4N2O2/c21-9-5-11(23)19(27)15-7(9)1-3-13-17(15)26-14-4-2-8-10(22)6-12(24)20(28)16(8)18(14)25-13/h1-6,25,27H
InChIKey
GMONUTOYAJHSIR-UHFFFAOYSA-N
Compound name
6,8,17,19-tetrabromo-16-hydroxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3,6,8,10,12,15(20),16,18,21-decaen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.73193 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.739206 157.5
[M+Na]+ 646.721148 162.4
[M-H]- 622.724654 161.0
[M+NH4]+ 641.765753 164.9
[M+K]+ 662.695088 152.9
[M+H-H2O]+ 606.729190 175.4
[M+HCOO]- 668.730131 160.7
[M+CH3COO]- 682.745781 163.8
[M+Na-2H]- 644.706596 161.1
[M]+ 623.73138142 196.2
[M]- 623.73247858 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.