CID 74132

1594-08-7

Structural Information

Molecular Formula
C21H15NO6S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChIKey
NTZOUXAZCADJBZ-UHFFFAOYSA-N
Compound name
[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

369
Patents

409.062 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06928 190.6
[M+Na]+ 432.05122 204.6
[M+NH4]+ 427.09582 197.2
[M+K]+ 448.02516 196.3
[M-H]- 408.05472 194.3
[M+Na-2H]- 430.03667 197.1
[M]+ 409.06145 194.1
[M]- 409.06255 194.1
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

patents stripe