CID 109923

Einecs 269-470-4

Structural Information

Molecular Formula
C30H26N2O2
SMILES
CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)C)C(=O)C5=CC=CC=C5C3=O)C
InChI
InChI=1S/C30H26N2O2/c1-17-9-11-23(19(3)15-17)31-25-13-14-26(32-24-12-10-18(2)16-20(24)4)28-27(25)29(33)21-7-5-6-8-22(21)30(28)34/h5-16,31-32H,1-4H3
InChIKey
CKAHGQQRLOXOEF-UHFFFAOYSA-N
Compound name
1,4-bis(2,4-dimethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

446.19943 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20671 213.5
[M+Na]+ 469.18865 222.0
[M-H]- 445.19215 225.1
[M+NH4]+ 464.23325 223.9
[M+K]+ 485.16259 214.4
[M+H-H2O]+ 429.19669 201.6
[M+HCOO]- 491.19763 233.3
[M+CH3COO]- 505.21328 222.3
[M+Na-2H]- 467.17410 214.6
[M]+ 446.19888 214.4
[M]- 446.19998 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