PubChemLite - Nps-2143 (C24H25ClN2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H](COC3=C(C(=CC=C3)Cl)C#N)O

InChI

InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1

InChIKey

PZUJQWHTIRWCID-HXUWFJFHSA-N

Compound name

2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile

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]+	409.16774	206.8
[M+Na]+	431.14968	215.4
[M-H]-	407.15318	210.6
[M+NH4]+	426.19428	216.9
[M+K]+	447.12362	205.9
[M+H-H2O]+	391.15772	192.8
[M+HCOO]-	453.15866	217.2
[M+CH3COO]-	467.17431	233.0
[M+Na-2H]-	429.13513	208.3
[M]+	408.15991	204.8
[M]-	408.16101	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.16774

206.8

[M+Na]+

431.14968

215.4

[M-H]-

407.15318

210.6

[M+NH4]+

426.19428

216.9

[M+K]+

447.12362

205.9

[M+H-H2O]+

391.15772

192.8

[M+HCOO]-

453.15866

217.2

[M+CH3COO]-

467.17431

233.0

[M+Na-2H]-

429.13513

208.3

[M]+

408.15991

204.8

[M]-

408.16101

204.8

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

Nps-2143

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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