CID 82094

7639-96-5

Structural Information

Molecular Formula
C30H26N2O2
SMILES
CC1=C(C(=CC=C1)C)NC2=C3C(=C(C=C2)NC4=C(C=CC=C4C)C)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C30H26N2O2/c1-17-9-7-10-18(2)27(17)31-23-15-16-24(32-28-19(3)11-8-12-20(28)4)26-25(23)29(33)21-13-5-6-14-22(21)30(26)34/h5-16,31-32H,1-4H3
InChIKey
ROXADXZZIZDALU-UHFFFAOYSA-N
Compound name
1,4-bis(2,6-dimethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

446.19943 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.206706 213.5
[M+Na]+ 469.188648 222.0
[M-H]- 445.192154 225.1
[M+NH4]+ 464.233253 223.9
[M+K]+ 485.162588 214.4
[M+H-H2O]+ 429.196690 201.6
[M+HCOO]- 491.197631 233.3
[M+CH3COO]- 505.213281 222.3
[M+Na-2H]- 467.174096 214.6
[M]+ 446.19888142 214.4
[M]- 446.19997858 214.4
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