CID 73490

N-1-anthraquinonyl-2,3-dichloropropionamide

Structural Information

Molecular Formula
C17H11Cl2NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C(CCl)Cl
InChI
InChI=1S/C17H11Cl2NO3/c18-8-12(19)17(23)20-13-7-3-6-11-14(13)16(22)10-5-2-1-4-9(10)15(11)21/h1-7,12H,8H2,(H,20,23)
InChIKey
NMNHTHKXGSVAQT-UHFFFAOYSA-N
Compound name
2,3-dichloro-N-(9,10-dioxoanthracen-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

347.0116 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01888 171.8
[M+Na]+ 370.00082 186.8
[M+NH4]+ 365.04542 180.4
[M+K]+ 385.97476 178.5
[M-H]- 346.00432 174.9
[M+Na-2H]- 367.98627 177.3
[M]+ 347.01105 175.4
[M]- 347.01215 175.4
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

patents stripe