CID 22902

72927-96-9

Structural Information

Molecular Formula
C23H20N2O5S
SMILES
CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C
InChI
InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)
InChIKey
YKHGPGKCMQFZSK-UHFFFAOYSA-N
Compound name
1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

1160
Patents

436.10928 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11656 201.9
[M+Na]+ 459.09850 215.4
[M+NH4]+ 454.14310 207.9
[M+K]+ 475.07244 207.2
[M-H]- 435.10200 206.2
[M+Na-2H]- 457.08395 206.8
[M]+ 436.10873 205.5
[M]- 436.10983 205.5
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