CID 103040

64862-95-9

Structural Information

Molecular Formula
C23H18N2O4
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C(=C2)C(=O)OC)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H18N2O4/c1-12-7-9-13(10-8-12)25-17-11-16(23(28)29-2)20(24)19-18(17)21(26)14-5-3-4-6-15(14)22(19)27/h3-11,25H,24H2,1-2H3
InChIKey
PGXKXIJWONSRRI-UHFFFAOYSA-N
Compound name
methyl 1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.12665 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13393 191.4
[M+Na]+ 409.11587 206.0
[M+NH4]+ 404.16047 198.6
[M+K]+ 425.08981 198.2
[M-H]- 385.11937 197.3
[M+Na-2H]- 407.10132 197.6
[M]+ 386.12610 195.1
[M]- 386.12720 195.1
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.