CID 44145652

71278-40-5

Structural Information

Molecular Formula
C24H21N3O6S
SMILES
CCN(C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C(=O)C
InChI
InChI=1S/C24H21N3O6S/c1-3-27(13(2)28)15-10-8-14(9-11-15)26-18-12-19(34(31,32)33)22(25)21-20(18)23(29)16-6-4-5-7-17(16)24(21)30/h4-12,26H,3,25H2,1-2H3,(H,31,32,33)
InChIKey
WIASDCXKSKXVJN-UHFFFAOYSA-N
Compound name
4-[4-[acetyl(ethyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1151 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.12238 207.6
[M+Na]+ 502.10432 218.1
[M+NH4]+ 497.14892 212.2
[M+K]+ 518.07826 211.9
[M-H]- 478.10782 211.3
[M+Na-2H]- 500.08977 212.3
[M]+ 479.11455 210.3
[M]- 479.11565 210.3
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.