CID 34118

28028-11-7

Structural Information

Molecular Formula
C28H40N4
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)N5CCN(CC5)C)C
InChI
InChI=1S/C28H40N4/c1-28(2)24-9-4-6-11-26(24)32(27-12-7-5-10-25(27)28)16-8-15-30-17-13-23(14-18-30)31-21-19-29(3)20-22-31/h4-7,9-12,23H,8,13-22H2,1-3H3
InChIKey
ROEVUSOCFKVBEL-UHFFFAOYSA-N
Compound name
9,9-dimethyl-10-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.3253 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.33258 217.5
[M+Na]+ 455.31452 220.0
[M-H]- 431.31802 220.1
[M+NH4]+ 450.35912 224.4
[M+K]+ 471.28846 211.4
[M+H-H2O]+ 415.32256 201.4
[M+HCOO]- 477.32350 221.5
[M+CH3COO]- 491.33915 221.1
[M+Na-2H]- 453.29997 215.4
[M]+ 432.32475 209.3
[M]- 432.32585 209.3
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.