PubChemLite - Sb-674042 (C24H21FN4O2S)

Structural Information

Molecular Formula

SMILES

CC1=NC(=C(S1)C2=CC=CC=C2F)C(=O)N3CCC[C@H]3CC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1

InChIKey

HYBZWVLPALMACV-KRWDZBQOSA-N

Compound name

[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone

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]+	449.14421	203.5
[M+Na]+	471.12615	217.8
[M+NH4]+	466.17075	209.6
[M+K]+	487.10009	214.2
[M-H]-	447.12965	210.5
[M+Na-2H]-	469.11160	212.1
[M]+	448.13638	208.0
[M]-	448.13748	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.14421

203.5

[M+Na]+

471.12615

217.8

[M+NH4]+

466.17075

209.6

[M+K]+

487.10009

214.2

[M-H]-

447.12965

210.5

[M+Na-2H]-

469.11160

212.1

[M]+

448.13638

208.0

[M]-

448.13748

208.0

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

Sb-674042

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe