CID 85070

3,6-diacetamidoacridine

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)C
InChI
InChI=1S/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKey
IPBVFYCAVIISQF-UHFFFAOYSA-N
Compound name
N-(6-acetamidoacridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

293.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 165.7
[M+Na]+ 316.105638 174.3
[M-H]- 292.109144 170.3
[M+NH4]+ 311.150243 181.4
[M+K]+ 332.079578 169.8
[M+H-H2O]+ 276.113680 157.3
[M+HCOO]- 338.114621 188.1
[M+CH3COO]- 352.130271 209.5
[M+Na-2H]- 314.091086 173.6
[M]+ 293.11587142 167.7
[M]- 293.11696858 167.7
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