CID 60596

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

Structural Information

Molecular Formula
C23H21N3
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C4C=CC=CC4=NC5=CC=CC=C53
InChI
InChI=1S/C23H21N3/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/h1-13H,14-17H2
InChIKey
XSRFWHXKXCYQHE-UHFFFAOYSA-N
Compound name
9-(4-phenylpiperazin-1-yl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.17355 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18083 183.7
[M+Na]+ 362.16277 190.7
[M-H]- 338.16627 189.7
[M+NH4]+ 357.20737 193.6
[M+K]+ 378.13671 181.9
[M+H-H2O]+ 322.17081 170.0
[M+HCOO]- 384.17175 198.0
[M+CH3COO]- 398.18740 192.0
[M+Na-2H]- 360.14822 190.5
[M]+ 339.17300 179.4
[M]- 339.17410 179.4
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.