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

1
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 172.1
[M+Na]+ 370.00082 181.9
[M-H]- 346.00432 177.0
[M+NH4]+ 365.04542 188.7
[M+K]+ 385.97476 175.3
[M+H-H2O]+ 330.00886 167.1
[M+HCOO]- 392.00980 182.9
[M+CH3COO]- 406.02545 213.3
[M+Na-2H]- 367.98627 175.8
[M]+ 347.01105 176.6
[M]- 347.01215 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe