CID 271592

Nsc-115290

Structural Information

Molecular Formula
C24H22N2O7S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)S(=O)(=O)N(CCO)CCO
InChI
InChI=1S/C24H22N2O7S/c27-13-11-26(12-14-28)34(32,33)16-7-5-15(6-8-16)25-19-9-10-20(29)22-21(19)23(30)17-3-1-2-4-18(17)24(22)31/h1-10,25,27-29H,11-14H2
InChIKey
RWRVDPVYYPGYQI-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

482.11478 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12206 206.2
[M+Na]+ 505.10400 211.2
[M-H]- 481.10750 211.1
[M+NH4]+ 500.14860 213.4
[M+K]+ 521.07794 206.9
[M+H-H2O]+ 465.11204 197.5
[M+HCOO]- 527.11298 217.9
[M+CH3COO]- 541.12863 238.9
[M+Na-2H]- 503.08945 211.1
[M]+ 482.11423 210.5
[M]- 482.11533 210.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.