CID 327052

Sudan green

Structural Information

Molecular Formula
C28H22N2O3
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC=C5O
InChI
InChI=1S/C28H22N2O3/c1-16-6-10-18(11-7-16)29-21-14-15-22(30-19-12-8-17(2)9-13-19)26-25(21)27(32)20-4-3-5-23(31)24(20)28(26)33/h3-15,29-31H,1-2H3
InChIKey
GYOOLBZBEMIASI-UHFFFAOYSA-N
Compound name
5-hydroxy-1,4-bis(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

434.16306 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17034 206.0
[M+Na]+ 457.15228 214.0
[M-H]- 433.15578 216.3
[M+NH4]+ 452.19688 215.9
[M+K]+ 473.12622 206.7
[M+H-H2O]+ 417.16032 194.7
[M+HCOO]- 479.16126 225.3
[M+CH3COO]- 493.17691 214.7
[M+Na-2H]- 455.13773 209.0
[M]+ 434.16251 205.7
[M]- 434.16361 205.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe