CID 137321731

Acetamide, n-(5,12-dihydro-6,11-dihydroxy-5,12-dioxo-1-naphthacenyl)-

Structural Information

Molecular Formula
C20H13NO5
SMILES
CC(=O)NC1=CC=CC2=C1C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C20H13NO5/c1-9(22)21-13-8-4-7-12-14(13)20(26)16-15(19(12)25)17(23)10-5-2-3-6-11(10)18(16)24/h2-8,25-26H,1H3,(H,21,22)
InChIKey
LAZWMSSTTNKHMY-UHFFFAOYSA-N
Compound name
N-(5,12-dihydroxy-6,11-dioxotetracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.07938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08666 175.2
[M+Na]+ 370.06860 184.9
[M-H]- 346.07210 179.7
[M+NH4]+ 365.11320 190.1
[M+K]+ 386.04254 179.9
[M+H-H2O]+ 330.07664 167.8
[M+HCOO]- 392.07758 191.8
[M+CH3COO]- 406.09323 216.1
[M+Na-2H]- 368.05405 180.1
[M]+ 347.07883 176.6
[M]- 347.07993 176.6
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.