CID 67011

Benzamide, n-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-

Structural Information

Molecular Formula
C21H14N2O3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N
InChI
InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)
InChIKey
FWEQPMZEKHHFTB-UHFFFAOYSA-N
Compound name
N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

660
Patents

342.10043 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.107706 177.5
[M+Na]+ 365.089648 185.6
[M-H]- 341.093154 185.7
[M+NH4]+ 360.134253 191.7
[M+K]+ 381.063588 179.8
[M+H-H2O]+ 325.097690 168.4
[M+HCOO]- 387.098631 198.7
[M+CH3COO]- 401.114281 188.2
[M+Na-2H]- 363.075096 182.5
[M]+ 342.09988142 176.0
[M]- 342.10097858 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