CID 109768

68214-42-6

Structural Information

Molecular Formula
C14H10Br2N4O2
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C(=C3N)Br)Br)N)N
InChI
InChI=1S/C14H10Br2N4O2/c15-9-10(16)12(20)8-7(11(9)19)13(21)5-3(17)1-2-4(18)6(5)14(8)22/h1-2H,17-20H2
InChIKey
UPFBCANRFNSDKE-UHFFFAOYSA-N
Compound name
1,4,5,8-tetraamino-2,3-dibromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.91705 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.92433 171.6
[M+Na]+ 446.90627 181.6
[M-H]- 422.90977 177.8
[M+NH4]+ 441.95087 186.0
[M+K]+ 462.88021 164.1
[M+H-H2O]+ 406.91431 174.7
[M+HCOO]- 468.91525 185.1
[M+CH3COO]- 482.93090 232.7
[M+Na-2H]- 444.89172 173.3
[M]+ 423.91650 200.5
[M]- 423.91760 200.5
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.