CID 57959

Dtxsid60905668

Structural Information

Molecular Formula
C21H20N2O4
SMILES
CCCCCNC(=O)C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H20N2O4/c1-2-3-6-11-22-20(26)21(27)23-13-9-10-16-17(12-13)19(25)15-8-5-4-7-14(15)18(16)24/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,22,26)(H,23,27)
InChIKey
RDAZMXGJRMNIRI-UHFFFAOYSA-N
Compound name
N'-(9,10-dioxoanthracen-2-yl)-N-pentyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.149576 183.8
[M+Na]+ 387.131518 189.7
[M-H]- 363.135024 188.5
[M+NH4]+ 382.176123 197.6
[M+K]+ 403.105458 185.3
[M+H-H2O]+ 347.139560 175.5
[M+HCOO]- 409.140501 203.8
[M+CH3COO]- 423.156151 223.0
[M+Na-2H]- 385.116966 187.1
[M]+ 364.14175142 185.5
[M]- 364.14284858 185.5
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.