CID 391395

Nsc690568

Structural Information

Molecular Formula
C18H17Cl2N3O
SMILES
CN1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O/c1-22-6-8-23(9-7-22)17-13(20)10-12(19)16-15(17)18(24)11-4-2-3-5-14(11)21-16/h2-5,10H,6-9H2,1H3,(H,21,24)
InChIKey
VLWHEULXBDRQND-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(4-methylpiperazin-1-yl)-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.07486 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08214 181.8
[M+Na]+ 384.06408 193.3
[M-H]- 360.06758 184.0
[M+NH4]+ 379.10868 193.3
[M+K]+ 400.03802 184.0
[M+H-H2O]+ 344.07212 171.9
[M+HCOO]- 406.07306 186.0
[M+CH3COO]- 420.08871 190.7
[M+Na-2H]- 382.04953 185.3
[M]+ 361.07431 182.8
[M]- 361.07541 182.8
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.