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 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

No literature data available for this compound.

Patent stripe

patents stripe