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 183.8
[M+Na]+ 387.13152 189.7
[M-H]- 363.13502 188.5
[M+NH4]+ 382.17612 197.6
[M+K]+ 403.10546 185.3
[M+H-H2O]+ 347.13956 175.5
[M+HCOO]- 409.14050 203.8
[M+CH3COO]- 423.15615 223.0
[M+Na-2H]- 385.11697 187.1
[M]+ 364.14175 185.5
[M]- 364.14285 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.