CID 97355558

3-chloro-10-[3-(dimethylamino)propyl]-9-acridanone

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
CN(C)CCCN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2O/c1-20(2)10-5-11-21-16-7-4-3-6-14(16)18(22)15-9-8-13(19)12-17(15)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
BBUFMDKBPBDZMC-UHFFFAOYSA-N
Compound name
3-chloro-10-[3-(dimethylamino)propyl]acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1186 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 171.8
[M+Na]+ 337.10782 183.0
[M-H]- 313.11132 177.5
[M+NH4]+ 332.15242 189.0
[M+K]+ 353.08176 176.7
[M+H-H2O]+ 297.11586 163.8
[M+HCOO]- 359.11680 190.2
[M+CH3COO]- 373.13245 184.1
[M+Na-2H]- 335.09327 178.7
[M]+ 314.11805 179.2
[M]- 314.11915 179.2
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.