CID 87107

17418-59-6

Structural Information

Molecular Formula
C22H17NO5
SMILES
C1=CC=C(C=C1)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H17NO5/c23-20-17(28-11-10-27-13-6-2-1-3-7-13)12-16(24)18-19(20)22(26)15-9-5-4-8-14(15)21(18)25/h1-9,12,24H,10-11,23H2
InChIKey
QIQBPLFYOLFHTB-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

375.1107 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11798 186.0
[M+Na]+ 398.09992 194.4
[M-H]- 374.10342 193.0
[M+NH4]+ 393.14452 198.6
[M+K]+ 414.07386 189.3
[M+H-H2O]+ 358.10796 176.6
[M+HCOO]- 420.10890 205.3
[M+CH3COO]- 434.12455 220.7
[M+Na-2H]- 396.08537 190.1
[M]+ 375.11015 188.3
[M]- 375.11125 188.3
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