CID 22916

2-anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-

Structural Information

Molecular Formula
C20H14N2O5S
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)
InChIKey
OPBOOIFXQHPAPJ-UHFFFAOYSA-N
Compound name
1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

3601
Patents

394.06235 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06963 186.4
[M+Na]+ 417.05157 195.2
[M-H]- 393.05507 193.2
[M+NH4]+ 412.09617 198.3
[M+K]+ 433.02551 189.4
[M+H-H2O]+ 377.05961 178.4
[M+HCOO]- 439.06055 201.2
[M+CH3COO]- 453.07620 223.1
[M+Na-2H]- 415.03702 192.3
[M]+ 394.06180 188.1
[M]- 394.06290 188.1
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