CID 438264

Nsc629796

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC1=CC2=C(C(=C1C)C(=O)N)NC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-7-5-11-14(13(8(7)2)16(18)21)19-12-6-9(17)3-4-10(12)15(11)20/h3-6H,1-2H3,(H2,18,21)(H,19,20)
InChIKey
YTXWKSJNGINHII-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 165.6
[M+Na]+ 323.05578 178.8
[M-H]- 299.05928 169.4
[M+NH4]+ 318.10038 182.2
[M+K]+ 339.02972 171.4
[M+H-H2O]+ 283.06382 159.4
[M+HCOO]- 345.06476 181.5
[M+CH3COO]- 359.08041 177.9
[M+Na-2H]- 321.04123 170.4
[M]+ 300.06601 169.5
[M]- 300.06711 169.5
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.