CID 3085535

71598-18-0

Structural Information

Molecular Formula
C22H18N2O5S
SMILES
CC1=CC=CC=C1S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC
InChI
InChI=1S/C22H18N2O5S/c1-12-7-3-6-10-17(12)30(27,28)24-15-11-16(29-2)20(23)19-18(15)21(25)13-8-4-5-9-14(13)22(19)26/h3-11,24H,23H2,1-2H3
InChIKey
UGHBZPJHDFVKTC-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.09363 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10091 196.3
[M+Na]+ 445.08285 205.4
[M-H]- 421.08635 204.5
[M+NH4]+ 440.12745 208.0
[M+K]+ 461.05679 200.1
[M+H-H2O]+ 405.09089 187.7
[M+HCOO]- 467.09183 211.8
[M+CH3COO]- 481.10748 232.3
[M+Na-2H]- 443.06830 200.8
[M]+ 422.09308 200.7
[M]- 422.09418 200.7
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