PubChemLite - Tr 3021 (C29H32N4O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H32N4O2/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,7,16-21,30H2,(H,31,35)

InChIKey

WEXSJALVYFCXAF-UHFFFAOYSA-N

Compound name

5-(4-aminophenyl)-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]+	469.25981	216.9
[M+Na]+	491.24175	219.8
[M-H]-	467.24525	225.5
[M+NH4]+	486.28635	221.7
[M+K]+	507.21569	210.8
[M+H-H2O]+	451.24979	202.8
[M+HCOO]-	513.25073	228.9
[M+CH3COO]-	527.26638	221.8
[M+Na-2H]-	489.22720	212.9
[M]+	468.25198	208.4
[M]-	468.25308	208.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.25981

216.9

[M+Na]+

491.24175

219.8

[M-H]-

467.24525

225.5

[M+NH4]+

486.28635

221.7

[M+K]+

507.21569

210.8

[M+H-H2O]+

451.24979

202.8

[M+HCOO]-

513.25073

228.9

[M+CH3COO]-

527.26638

221.8

[M+Na-2H]-

489.22720

212.9

[M]+

468.25198

208.4

[M]-

468.25308

208.4

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

Tr 3021

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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