CID 56843131

Acid blue 23

Structural Information

Molecular Formula
C22H17N3O9S2
SMILES
CC(=O)NC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=C(C3=O)C=CC(=C4S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C22H17N3O9S2/c1-10(26)24-11-2-4-12(5-3-11)25-15-8-7-14(23)18-19(15)20(27)13-6-9-16(35(29,30)31)22(36(32,33)34)17(13)21(18)28/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)
InChIKey
LODYWQZVLXKNGD-UHFFFAOYSA-N
Compound name
5-(4-acetamidoanilino)-8-amino-9,10-dioxoanthracene-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

602
Patents

531.04065 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.04793 211.8
[M+Na]+ 554.02987 219.4
[M+NH4]+ 549.07447 213.7
[M+K]+ 570.00381 214.7
[M-H]- 530.03337 212.2
[M+Na-2H]- 552.01532 215.0
[M]+ 531.04010 213.4
[M]- 531.04120 213.4
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.