CID 56444

N-(2-anthraquinonyl)-n'-benzyloxamide

Structural Information

Molecular Formula
C23H16N2O4
SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H16N2O4/c26-20-16-8-4-5-9-17(16)21(27)19-12-15(10-11-18(19)20)25-23(29)22(28)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,28)(H,25,29)
InChIKey
WQZGIWQJTINELR-UHFFFAOYSA-N
Compound name
N-benzyl-N'-(9,10-dioxoanthracen-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.111 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11828 187.2
[M+Na]+ 407.10022 193.3
[M-H]- 383.10372 195.2
[M+NH4]+ 402.14482 199.4
[M+K]+ 423.07416 188.2
[M+H-H2O]+ 367.10826 177.5
[M+HCOO]- 429.10920 207.7
[M+CH3COO]- 443.12485 225.3
[M+Na-2H]- 405.08567 192.0
[M]+ 384.11045 186.8
[M]- 384.11155 186.8
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.