CID 106082

Einecs 267-703-4

Structural Information

Molecular Formula
C30H24Cl2N2O2
SMILES
CC1=C(C(=CC=C1)C)NC2=C3C(=C(C=C2)NC4=C(C=CC=C4C)C)C(=O)C5=CC(=C(C=C5C3=O)Cl)Cl
InChI
InChI=1S/C30H24Cl2N2O2/c1-15-7-5-8-16(2)27(15)33-23-11-12-24(34-28-17(3)9-6-10-18(28)4)26-25(23)29(35)19-13-21(31)22(32)14-20(19)30(26)36/h5-14,33-34H,1-4H3
InChIKey
PCNWENIIFRCYSX-UHFFFAOYSA-N
Compound name
6,7-dichloro-1,4-bis(2,6-dimethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

514.12146 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.12874 228.9
[M+Na]+ 537.11068 240.4
[M-H]- 513.11418 239.8
[M+NH4]+ 532.15528 238.8
[M+K]+ 553.08462 231.3
[M+H-H2O]+ 497.11872 218.8
[M+HCOO]- 559.11966 239.4
[M+CH3COO]- 573.13531 237.1
[M+Na-2H]- 535.09613 227.2
[M]+ 514.12091 235.3
[M]- 514.12201 235.3
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