CID 162415

40530-60-7

Structural Information

Molecular Formula
C19H17NO7
SMILES
CCOC(=O)OCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C19H17NO7/c1-2-25-19(24)27-8-7-26-13-9-12(21)14-15(16(13)20)18(23)11-6-4-3-5-10(11)17(14)22/h3-6,9,21H,2,7-8,20H2,1H3
InChIKey
GLVDLLVMSDGVDA-UHFFFAOYSA-N
Compound name
2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

371.1005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10778 181.0
[M+Na]+ 394.08972 189.2
[M-H]- 370.09322 184.9
[M+NH4]+ 389.13432 194.2
[M+K]+ 410.06366 186.6
[M+H-H2O]+ 354.09776 173.2
[M+HCOO]- 416.09870 199.7
[M+CH3COO]- 430.11435 219.2
[M+Na-2H]- 392.07517 183.7
[M]+ 371.09995 186.5
[M]- 371.10105 186.5
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