CID 459275

2,4-dibromo-1-isopropylaminoanthraquinone

Structural Information

Molecular Formula
C17H13Br2NO2
SMILES
CC(C)NC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)Br)Br
InChI
InChI=1S/C17H13Br2NO2/c1-8(2)20-15-12(19)7-11(18)13-14(15)17(22)10-6-4-3-5-9(10)16(13)21/h3-8,20H,1-2H3
InChIKey
ZZILMEFWRAXXLK-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.9313 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.93858 170.4
[M+Na]+ 443.92052 180.5
[M-H]- 419.92402 178.2
[M+NH4]+ 438.96512 186.9
[M+K]+ 459.89446 164.9
[M+H-H2O]+ 403.92856 177.0
[M+HCOO]- 465.92950 183.3
[M+CH3COO]- 479.94515 226.2
[M+Na-2H]- 441.90597 174.7
[M]+ 420.93075 204.6
[M]- 420.93185 204.6
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.