PubChemLite - Tr 2987 (C29H30BrN3O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1C2=CC=CC=C2)CCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H30BrN3O2/c30-26-14-12-25(13-15-26)29(24-10-5-2-6-11-24)27(34)33(28(35)31-29)19-7-18-32-20-16-23(17-21-32)22-8-3-1-4-9-22/h1-6,8-15,23H,7,16-21H2,(H,31,35)

InChIKey

VGYIJNGXKHAZAK-UHFFFAOYSA-N

Compound name

5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

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]+	532.15944	224.3
[M+Na]+	554.14138	230.1
[M-H]-	530.14488	235.2
[M+NH4]+	549.18598	231.5
[M+K]+	570.11532	215.8
[M+H-H2O]+	514.14942	218.6
[M+HCOO]-	576.15036	234.1
[M+CH3COO]-	590.16601	231.1
[M+Na-2H]-	552.12683	221.1
[M]+	531.15161	236.2
[M]-	531.15271	236.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

532.15944

224.3

[M+Na]+

554.14138

230.1

[M-H]-

530.14488

235.2

[M+NH4]+

549.18598

231.5

[M+K]+

570.11532

215.8

[M+H-H2O]+

514.14942

218.6

[M+HCOO]-

576.15036

234.1

[M+CH3COO]-

590.16601

231.1

[M+Na-2H]-

552.12683

221.1

[M]+

531.15161

236.2

[M]-

531.15271

236.2

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

Tr 2987

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe