CID 47752

1-a-2-baa [russian]

Structural Information

Molecular Formula
C21H14N2O3
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C21H14N2O3/c22-18-16(23-21(26)12-6-2-1-3-7-12)11-10-15-17(18)20(25)14-9-5-4-8-13(14)19(15)24/h1-11H,22H2,(H,23,26)
InChIKey
MVHHOZOFGMVJFK-UHFFFAOYSA-N
Compound name
N-(1-amino-9,10-dioxoanthracen-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.10043 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe