CID 133712

Acridine, 3,6-bis(2-(1-piperidinyl)ethoxy)-, trihydrochloride

Structural Information

Molecular Formula
C27H35N3O2
SMILES
C1CCN(CC1)CCOC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)OCCN5CCCCC5
InChI
InChI=1S/C27H35N3O2/c1-3-11-29(12-4-1)15-17-31-24-9-7-22-19-23-8-10-25(21-27(23)28-26(22)20-24)32-18-16-30-13-5-2-6-14-30/h7-10,19-21H,1-6,11-18H2
InChIKey
QKPASNYRBWHSBK-UHFFFAOYSA-N
Compound name
3,6-bis(2-piperidin-1-ylethoxy)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

14
Patents

433.27292 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.28020 208.5
[M+Na]+ 456.26214 209.9
[M-H]- 432.26564 212.3
[M+NH4]+ 451.30674 214.0
[M+K]+ 472.23608 202.5
[M+H-H2O]+ 416.27018 193.3
[M+HCOO]- 478.27112 217.4
[M+CH3COO]- 492.28677 213.0
[M+Na-2H]- 454.24759 210.2
[M]+ 433.27237 203.8
[M]- 433.27347 203.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe