CID 117566

1,5-di-p-anisidino-4,8-dihydroxyanthraquinone

Structural Information

Molecular Formula
C28H22N2O6
SMILES
COC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=CC=C(C=C5)OC
InChI
InChI=1S/C28H22N2O6/c1-35-17-7-3-15(4-8-17)29-19-11-13-21(31)25-23(19)27(33)26-22(32)14-12-20(24(26)28(25)34)30-16-5-9-18(36-2)10-6-16/h3-14,29-32H,1-2H3
InChIKey
MKJOPGYPUGDJGQ-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-4,8-bis(4-methoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

482.1478 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.15508 213.9
[M+Na]+ 505.13702 221.2
[M-H]- 481.14052 223.3
[M+NH4]+ 500.18162 221.0
[M+K]+ 521.11096 216.4
[M+H-H2O]+ 465.14506 202.3
[M+HCOO]- 527.14600 232.0
[M+CH3COO]- 541.16165 221.7
[M+Na-2H]- 503.12247 216.7
[M]+ 482.14725 216.5
[M]- 482.14835 216.5
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