CID 51972

73655-62-6

Structural Information

Molecular Formula
C21H16N2O
SMILES
CC(=O)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H16N2O/c1-14(24)15-10-12-16(13-11-15)22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-13H,1H3,(H,22,23)
InChIKey
IKSDUCAEKHIKST-UHFFFAOYSA-N
Compound name
1-[4-(acridin-9-ylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

312.12625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 172.7
[M+Na]+ 335.11547 181.6
[M-H]- 311.11897 180.0
[M+NH4]+ 330.16007 187.2
[M+K]+ 351.08941 174.8
[M+H-H2O]+ 295.12351 162.7
[M+HCOO]- 357.12445 194.3
[M+CH3COO]- 371.14010 183.9
[M+Na-2H]- 333.10092 181.3
[M]+ 312.12570 173.8
[M]- 312.12680 173.8
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

No patent data available for this compound.