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 190.8
[M+Na]+ 409.11587 199.4
[M-H]- 385.11937 199.3
[M+NH4]+ 404.16047 203.6
[M+K]+ 425.08981 194.4
[M+H-H2O]+ 369.12391 181.3
[M+HCOO]- 431.12485 211.2
[M+CH3COO]- 445.14050 229.8
[M+Na-2H]- 407.10132 193.3
[M]+ 386.12610 192.2
[M]- 386.12720 192.2
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.