CID 373416

Nsc649676

Structural Information

Molecular Formula
C19H12ClNO2
SMILES
COC(=O)C1=CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=C13)Cl
InChI
InChI=1S/C19H12ClNO2/c1-23-19(22)14-10-11-6-2-3-7-12(11)18-16(14)17(20)13-8-4-5-9-15(13)21-18/h2-10H,1H3
InChIKey
ZYRSLNBHKCPCGQ-UHFFFAOYSA-N
Compound name
methyl 7-chlorobenzo[c]acridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.05566 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06294 170.6
[M+Na]+ 344.04488 182.8
[M-H]- 320.04838 176.1
[M+NH4]+ 339.08948 187.7
[M+K]+ 360.01882 175.8
[M+H-H2O]+ 304.05292 162.3
[M+HCOO]- 366.05386 185.9
[M+CH3COO]- 380.06951 182.7
[M+Na-2H]- 342.03033 179.0
[M]+ 321.05511 177.1
[M]- 321.05621 177.1
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.