CID 57959

100694-10-8

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]+ 365.14958 185.3
[M+Na]+ 387.13152 196.3
[M+NH4]+ 382.17612 191.4
[M+K]+ 403.10546 189.5
[M-H]- 363.13502 187.7
[M+Na-2H]- 385.11697 188.7
[M]+ 364.14175 187.2
[M]- 364.14285 187.2
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.