CID 22902

2-anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]-

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

1161
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 201.2
[M+Na]+ 459.09850 210.8
[M-H]- 435.10200 208.4
[M+NH4]+ 454.14310 212.1
[M+K]+ 475.07244 205.0
[M+H-H2O]+ 419.10654 193.1
[M+HCOO]- 481.10748 214.5
[M+CH3COO]- 495.12313 236.1
[M+Na-2H]- 457.08395 203.6
[M]+ 436.10873 205.1
[M]- 436.10983 205.1
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