CID 66479

1-amino-4-benzamidoanthraquinone

Structural Information

Molecular Formula
C21H14N2O3
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H14N2O3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,22H2,(H,23,26)
InChIKey
PXNNPGGYHAWDJW-UHFFFAOYSA-N
Compound name
N-(4-amino-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

195
Patents

342.10043 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10771 177.5
[M+Na]+ 365.08965 185.6
[M-H]- 341.09315 185.7
[M+NH4]+ 360.13425 191.7
[M+K]+ 381.06359 179.8
[M+H-H2O]+ 325.09769 168.4
[M+HCOO]- 387.09863 198.7
[M+CH3COO]- 401.11428 188.2
[M+Na-2H]- 363.07510 182.5
[M]+ 342.09988 176.0
[M]- 342.10098 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe