CID 119885

28173-59-3

Structural Information

Molecular Formula
C23H17NO7
SMILES
C1=CC=C(C=C1)OC(=O)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C23H17NO7/c24-20-17(29-10-11-30-23(28)31-13-6-2-1-3-7-13)12-16(25)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h1-9,12,25H,10-11,24H2
InChIKey
GLLYQJVICPAIGW-UHFFFAOYSA-N
Compound name
2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyethyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

419.1005 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10778 194.7
[M+Na]+ 442.08972 201.9
[M-H]- 418.09322 201.5
[M+NH4]+ 437.13432 205.1
[M+K]+ 458.06366 198.6
[M+H-H2O]+ 402.09776 184.8
[M+HCOO]- 464.09870 213.0
[M+CH3COO]- 478.11435 227.4
[M+Na-2H]- 440.07517 197.6
[M]+ 419.09995 198.6
[M]- 419.10105 198.6
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