CID 23453

Acridine, 1,2,3,4-tetrahydro-9-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C23H25N3
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N3/c1-2-8-18(9-3-1)25-14-16-26(17-15-25)23-19-10-4-6-12-21(19)24-22-13-7-5-11-20(22)23/h1-4,6,8-10,12H,5,7,11,13-17H2
InChIKey
ZGGFKRVGXHWHPM-UHFFFAOYSA-N
Compound name
9-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.20483 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.212106 185.7
[M+Na]+ 366.194048 189.6
[M-H]- 342.197554 190.5
[M+NH4]+ 361.238653 195.2
[M+K]+ 382.167988 181.5
[M+H-H2O]+ 326.202090 171.8
[M+HCOO]- 388.203031 195.9
[M+CH3COO]- 402.218681 192.5
[M+Na-2H]- 364.179496 189.4
[M]+ 343.20428142 177.3
[M]- 343.20537858 177.3
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.