CID 105393

Einecs 266-555-8

Structural Information

Molecular Formula
C23H17NO6
SMILES
CC(=O)COC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C23H17NO6/c1-12(25)11-29-13-6-8-14(9-7-13)30-18-10-17(26)19-20(21(18)24)23(28)16-5-3-2-4-15(16)22(19)27/h2-10,26H,11,24H2,1H3
InChIKey
QKSHXKRSGMVHSN-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[4-(2-oxopropoxy)phenoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11288 192.5
[M+Na]+ 426.09482 200.8
[M-H]- 402.09832 199.7
[M+NH4]+ 421.13942 203.8
[M+K]+ 442.06876 196.7
[M+H-H2O]+ 386.10286 183.1
[M+HCOO]- 448.10380 210.6
[M+CH3COO]- 462.11945 227.7
[M+Na-2H]- 424.08027 194.4
[M]+ 403.10505 195.6
[M]- 403.10615 195.6
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

No patent data available for this compound.