CID 86372

9,10-anthracenedione, 1-amino-2-(2-methoxyethoxy)-4-(phenylamino)-

Structural Information

Molecular Formula
C23H20N2O4
SMILES
COCCOC1=C(C2=C(C(=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N
InChI
InChI=1S/C23H20N2O4/c1-28-11-12-29-18-13-17(25-14-7-3-2-4-8-14)19-20(21(18)24)23(27)16-10-6-5-9-15(16)22(19)26/h2-10,13,25H,11-12,24H2,1H3
InChIKey
FRPMBDALZYKVFM-UHFFFAOYSA-N
Compound name
1-amino-4-anilino-2-(2-methoxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 190.5
[M+Na]+ 411.13152 198.2
[M-H]- 387.13502 198.5
[M+NH4]+ 406.17612 203.0
[M+K]+ 427.10546 193.0
[M+H-H2O]+ 371.13956 180.5
[M+HCOO]- 433.14050 211.9
[M+CH3COO]- 447.15615 228.8
[M+Na-2H]- 409.11697 195.0
[M]+ 388.14175 192.8
[M]- 388.14285 192.8
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.