CID 76197

2907-79-1

Structural Information

Molecular Formula
C27H20N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=CC=CC=C5
InChI
InChI=1S/C27H20N2O5S/c1-16-11-13-18(14-12-16)35(32,33)29-21-15-22(34-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3
InChIKey
VOOHPYUBEFOAEZ-UHFFFAOYSA-N
Compound name
N-(4-amino-9,10-dioxo-3-phenoxyanthracen-1-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

484.10928 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.11656 212.1
[M+Na]+ 507.09850 227.5
[M+NH4]+ 502.14310 219.0
[M+K]+ 523.07244 217.4
[M-H]- 483.10200 219.6
[M+Na-2H]- 505.08395 221.2
[M]+ 484.10873 217.0
[M]- 484.10983 217.0
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