CID 54575324

Fluo-8 am

Structural Information

Molecular Formula
C50H50N2O23
SMILES
CC(=O)OCOC1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC(=C(C=C4)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC5=CC=CC=C5N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChI
InChI=1S/C50H50N2O23/c1-30(53)65-25-70-37-12-14-39-44(20-37)75-43-19-36(58)11-13-38(43)50(39)35-10-15-41(52(23-48(61)73-28-68-33(4)56)24-49(62)74-29-69-34(5)57)45(18-35)64-17-16-63-42-9-7-6-8-40(42)51(21-46(59)71-26-66-31(2)54)22-47(60)72-27-67-32(3)55/h6-15,18-20H,16-17,21-29H2,1-5H3
InChIKey
BKYHTWFRZPRHNM-UHFFFAOYSA-N
Compound name
acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-4-[3-(acetyloxymethoxy)-6-oxoxanthen-9-yl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

260
Patents

1046.2804 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1047.2877 320.1
[M+Na]+ 1069.2696 325.9
[M+NH4]+ 1064.3142 325.3
[M+K]+ 1085.2436 323.7
[M-H]- 1045.2731 321.5
[M+Na-2H]- 1067.2551 347.3
[M]+ 1046.2799 324.5
[M]- 1046.2809 324.5
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