CID 3018605

75601-56-8

Structural Information

Molecular Formula
C24H22N2O7S
SMILES
COCCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C24H22N2O7S/c1-32-12-4-11-26-34(30,31)15-9-7-14(8-10-15)33-19-13-18(27)20-21(22(19)25)24(29)17-6-3-2-5-16(17)23(20)28/h2-3,5-10,13,26-27H,4,11-12,25H2,1H3
InChIKey
ZNHAFMWABUTMHD-UHFFFAOYSA-N
Compound name
4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(3-methoxypropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

482.11478 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.122056 208.9
[M+Na]+ 505.103998 215.5
[M-H]- 481.107504 215.0
[M+NH4]+ 500.148603 216.9
[M+K]+ 521.077938 211.1
[M+H-H2O]+ 465.112040 199.7
[M+HCOO]- 527.112981 222.4
[M+CH3COO]- 541.128631 240.9
[M+Na-2H]- 503.089446 213.2
[M]+ 482.11423142 214.9
[M]- 482.11532858 214.9
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