PubChemLite - Z-fy-cho (C26H26N2O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1

InChIKey

QVDJMLQSYRSZKC-UPVQGACJSA-N

Compound name

benzyl N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

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]+	447.19145	209.3
[M+Na]+	469.17339	219.1
[M+NH4]+	464.21799	213.4
[M+K]+	485.14733	213.1
[M-H]-	445.17689	213.7
[M+Na-2H]-	467.15884	216.5
[M]+	446.18362	211.5
[M]-	446.18472	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.19145

209.3

[M+Na]+

469.17339

219.1

[M+NH4]+

464.21799

213.4

[M+K]+

485.14733

213.1

[M-H]-

445.17689

213.7

[M+Na-2H]-

467.15884

216.5

[M]+

446.18362

211.5

[M]-

446.18472

211.5

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

Z-fy-cho

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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