CID 60597

9-(4-methyl-1-piperazinyl)acridine

Structural Information

Molecular Formula
C18H19N3
SMILES
CN1CCN(CC1)C2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)18/h2-9H,10-13H2,1H3
InChIKey
XHTLDEKMWBOVSQ-UHFFFAOYSA-N
Compound name
9-(4-methylpiperazin-1-yl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1579 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.165176 166.9
[M+Na]+ 300.147118 175.1
[M-H]- 276.150624 170.5
[M+NH4]+ 295.191723 180.4
[M+K]+ 316.121058 168.1
[M+H-H2O]+ 260.155160 155.5
[M+HCOO]- 322.156101 182.1
[M+CH3COO]- 336.171751 176.9
[M+Na-2H]- 298.132566 174.3
[M]+ 277.15735142 164.1
[M]- 277.15844858 164.1
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.