CID 109922

Solvent violet 38

Structural Information

Molecular Formula
C28H18Br4N2O2
SMILES
CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4Br)C)Br)C(=O)C5=CC=CC=C5C3=O)Br
InChI
InChI=1S/C28H18Br4N2O2/c1-13-9-17(29)25(18(30)10-13)33-21-7-8-22(34-26-19(31)11-14(2)12-20(26)32)24-23(21)27(35)15-5-3-4-6-16(15)28(24)36/h3-12,33-34H,1-2H3
InChIKey
MBBKLLKQAYFPGR-UHFFFAOYSA-N
Compound name
1,4-bis(2,6-dibromo-4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

729.8102 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.81748 192.0
[M+Na]+ 752.79942 194.5
[M-H]- 728.80292 197.3
[M+NH4]+ 747.84402 197.4
[M+K]+ 768.77336 183.9
[M+H-H2O]+ 712.80746 207.0
[M+HCOO]- 774.80840 195.1
[M+CH3COO]- 788.82405 195.9
[M+Na-2H]- 750.78487 190.2
[M]+ 729.80965 228.9
[M]- 729.81075 228.9
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

patents stripe