CID 133712

81541-32-4

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

2
Annotation Hits: 19
References: 14
Patents: 433.27292 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe