CID 56439

N-(1-anthraquinonyl)-n'-butyloxamide

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CCCCNC(=O)C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H18N2O4/c1-2-3-11-21-19(25)20(26)22-15-10-6-9-14-16(15)18(24)13-8-5-4-7-12(13)17(14)23/h4-10H,2-3,11H2,1H3,(H,21,25)(H,22,26)
InChIKey
VYSHFHDUHNQGCR-UHFFFAOYSA-N
Compound name
N-butyl-N'-(9,10-dioxoanthracen-1-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 179.2
[M+Na]+ 373.11587 185.5
[M-H]- 349.11937 184.2
[M+NH4]+ 368.16047 193.6
[M+K]+ 389.08981 181.4
[M+H-H2O]+ 333.12391 171.2
[M+HCOO]- 395.12485 199.6
[M+CH3COO]- 409.14050 220.1
[M+Na-2H]- 371.10132 183.1
[M]+ 350.12610 180.6
[M]- 350.12720 180.6
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.