CID 44145668

Einecs 275-411-3

Structural Information

Molecular Formula
C22H18N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N)OC
InChI
InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-17-11-16-18(19(23)22(17)29-2)21(26)15-6-4-3-5-14(15)20(16)25/h3-11,24H,23H2,1-2H3
InChIKey
OUTIRUXPDGYVSL-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxy-9,10-dioxoanthracen-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.09363 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10091 196.2
[M+Na]+ 445.08285 209.7
[M+NH4]+ 440.12745 202.8
[M+K]+ 461.05679 201.2
[M-H]- 421.08635 200.9
[M+Na-2H]- 443.06830 202.4
[M]+ 422.09308 199.9
[M]- 422.09418 199.9
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