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]+ 389.149576 190.5
[M+Na]+ 411.131518 198.2
[M-H]- 387.135024 198.5
[M+NH4]+ 406.176123 203.0
[M+K]+ 427.105458 193.0
[M+H-H2O]+ 371.139560 180.5
[M+HCOO]- 433.140501 211.9
[M+CH3COO]- 447.156151 228.8
[M+Na-2H]- 409.116966 195.0
[M]+ 388.14175142 192.8
[M]- 388.14284858 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.