CID 3590087

9,10-anthracenedione, 1-[[4-(dimethylamino)phenyl]azo]-

Structural Information

Molecular Formula
C22H17N3O2
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H17N3O2/c1-25(2)15-12-10-14(11-13-15)23-24-19-9-5-8-18-20(19)22(27)17-7-4-3-6-16(17)21(18)26/h3-13H,1-2H3
InChIKey
BRZXLFVLBKLMQB-UHFFFAOYSA-N
Compound name
1-[[4-(dimethylamino)phenyl]diazenyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13208 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 182.2
[M+Na]+ 378.12130 190.3
[M-H]- 354.12480 194.5
[M+NH4]+ 373.16590 197.8
[M+K]+ 394.09524 186.3
[M+H-H2O]+ 338.12934 171.4
[M+HCOO]- 400.13028 208.8
[M+CH3COO]- 414.14593 194.1
[M+Na-2H]- 376.10675 189.1
[M]+ 355.13153 185.1
[M]- 355.13263 185.1
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.