CID 35849

31571-94-5

Structural Information

Molecular Formula
C24H21NO3S
SMILES
CC(C)(C)C1=CC=C(C=C1)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C24H21NO3S/c1-24(2,3)13-8-10-14(11-9-13)29-18-12-17(26)19-20(21(18)25)23(28)16-7-5-4-6-15(16)22(19)27/h4-12,26H,25H2,1-3H3
InChIKey
FFARFOCDTANISC-UHFFFAOYSA-N
Compound name
1-amino-2-(4-tert-butylphenyl)sulfanyl-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1242 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13148 196.6
[M+Na]+ 426.11342 211.6
[M+NH4]+ 421.15802 204.9
[M+K]+ 442.08736 201.5
[M-H]- 402.11692 202.1
[M+Na-2H]- 424.09887 203.0
[M]+ 403.12365 201.1
[M]- 403.12475 201.1
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

No patent data available for this compound.