CID 364451

Toluacrone

Structural Information

Molecular Formula
C23H18N2O4
SMILES
CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H18N2O4/c1-14-9-11-15(12-10-14)24-20(26)13-29-23(28)18-7-4-6-17-21(18)25-19-8-3-2-5-16(19)22(17)27/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKey
HJGAIMRDMOLJIF-UHFFFAOYSA-N
Compound name
[2-(4-methylanilino)-2-oxoethyl] 9-oxo-10H-acridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12665 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13393 190.0
[M+Na]+ 409.11587 197.9
[M-H]- 385.11937 196.1
[M+NH4]+ 404.16047 200.6
[M+K]+ 425.08981 192.0
[M+H-H2O]+ 369.12391 179.7
[M+HCOO]- 431.12485 209.1
[M+CH3COO]- 445.14050 199.4
[M+Na-2H]- 407.10132 195.5
[M]+ 386.12610 192.4
[M]- 386.12720 192.4
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

No patent data available for this compound.