CID 78075

5617-28-7

Structural Information

Molecular Formula
C20H20N2O5S
SMILES
C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O
InChI
InChI=1S/C20H20N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27)
InChIKey
GMBNNHLANOGOAU-UHFFFAOYSA-N
Compound name
1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

3330
Patents

400.10928 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11656 186.9
[M+Na]+ 423.09850 197.2
[M+NH4]+ 418.14310 193.3
[M+K]+ 439.07244 190.1
[M-H]- 399.10200 190.4
[M+Na-2H]- 421.08395 191.0
[M]+ 400.10873 189.5
[M]- 400.10983 189.5
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

patents stripe