PubChemLite - 28121-32-6 (C30H42N4O)

Structural Information

Molecular Formula

SMILES

CC(CN1CCC(CC1)(C(=O)N)N2CCCCC2)CN3C4=CC=CC=C4C(C5=CC=CC=C53)(C)C

InChI

InChI=1S/C30H42N4O/c1-23(21-32-19-15-30(16-20-32,28(31)35)33-17-9-4-10-18-33)22-34-26-13-7-5-11-24(26)29(2,3)25-12-6-8-14-27(25)34/h5-8,11-14,23H,4,9-10,15-22H2,1-3H3,(H2,31,35)

InChIKey

YZKFEMYZBKGSIK-UHFFFAOYSA-N

Compound name

1-[3-(9,9-dimethylacridin-10-yl)-2-methylpropyl]-4-piperidin-1-ylpiperidine-4-carboxamide

Related CIDs

2D Structure

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]+	475.34316	222.8
[M+Na]+	497.32510	223.4
[M-H]-	473.32860	226.1
[M+NH4]+	492.36970	230.3
[M+K]+	513.29904	216.5
[M+H-H2O]+	457.33314	208.1
[M+HCOO]-	519.33408	226.5
[M+CH3COO]-	533.34973	225.7
[M+Na-2H]-	495.31055	220.0
[M]+	474.33533	213.2
[M]-	474.33643	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.34316

222.8

[M+Na]+

497.32510

223.4

[M-H]-

473.32860

226.1

[M+NH4]+

492.36970

230.3

[M+K]+

513.29904

216.5

[M+H-H2O]+

457.33314

208.1

[M+HCOO]-

519.33408

226.5

[M+CH3COO]-

533.34973

225.7

[M+Na-2H]-

495.31055

220.0

[M]+

474.33533

213.2

[M]-

474.33643

213.2

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

28121-32-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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