CID 110432

68516-77-8

Structural Information

Molecular Formula
C22H16N2O4
SMILES
COC1=C(C2=C(C(=C1)NC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N
InChI
InChI=1S/C22H16N2O4/c1-28-16-11-15(24-22(27)12-7-3-2-4-8-12)17-18(19(16)23)21(26)14-10-6-5-9-13(14)20(17)25/h2-11H,23H2,1H3,(H,24,27)
InChIKey
XMQCOHKRKJYGHP-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 185.5
[M+Na]+ 395.10022 193.7
[M-H]- 371.10372 193.9
[M+NH4]+ 390.14482 198.6
[M+K]+ 411.07416 188.8
[M+H-H2O]+ 355.10826 176.1
[M+HCOO]- 417.10920 206.4
[M+CH3COO]- 431.12485 225.5
[M+Na-2H]- 393.08567 189.4
[M]+ 372.11045 186.2
[M]- 372.11155 186.2
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

patents stripe