PubChemLite - Meppep c-11 (C26H25F3N2O2)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=CC=CC=C1)N[C@@H]2C[C@@H](N(C2=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC(=CC=C4)O[11CH3]

InChI

InChI=1S/C26H25F3N2O2/c1-17(18-7-4-3-5-8-18)30-23-16-24(19-9-6-10-22(15-19)33-2)31(25(23)32)21-13-11-20(12-14-21)26(27,28)29/h3-15,17,23-24,30H,16H2,1-2H3/t17-,23-,24-/m1/s1/i2-1

InChIKey

BPTDWRQYMMIHHK-IODDVELNSA-N

Compound name

(3R,5R)-5-(3-(111C)methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

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]+	454.20552	209.1
[M+Na]+	476.18746	214.8
[M-H]-	452.19096	216.5
[M+NH4]+	471.23206	217.3
[M+K]+	492.16140	207.8
[M+H-H2O]+	436.19550	195.8
[M+HCOO]-	498.19644	224.1
[M+CH3COO]-	512.21209	235.3
[M+Na-2H]-	474.17291	205.8
[M]+	453.19769	204.6
[M]-	453.19879	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.20552

209.1

[M+Na]+

476.18746

214.8

[M-H]-

452.19096

216.5

[M+NH4]+

471.23206

217.3

[M+K]+

492.16140

207.8

[M+H-H2O]+

436.19550

195.8

[M+HCOO]-

498.19644

224.1

[M+CH3COO]-

512.21209

235.3

[M+Na-2H]-

474.17291

205.8

[M]+

453.19769

204.6

[M]-

453.19879

204.6

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

Meppep c-11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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