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
2
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 213.6
[M+Na]+ 507.09850 221.5
[M-H]- 483.10200 224.1
[M+NH4]+ 502.14310 221.8
[M+K]+ 523.07244 215.4
[M+H-H2O]+ 467.10654 202.9
[M+HCOO]- 529.10748 228.4
[M+CH3COO]- 543.12313 221.7
[M+Na-2H]- 505.08395 218.1
[M]+ 484.10873 216.7
[M]- 484.10983 216.7
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