PubChemLite - 199110-64-0 (C30H25NO4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H25NO4/c32-29(33)28(18-20-14-16-22(17-15-20)21-8-2-1-3-9-21)31-30(34)35-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,31,34)(H,32,33)/t28-/m0/s1

InChIKey

VSGACONKQRJFGX-NDEPHWFRSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid

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]+	464.18562	212.1
[M+Na]+	486.16756	215.3
[M-H]-	462.17106	221.4
[M+NH4]+	481.21216	221.6
[M+K]+	502.14150	209.4
[M+H-H2O]+	446.17560	202.0
[M+HCOO]-	508.17654	229.5
[M+CH3COO]-	522.19219	219.3
[M+Na-2H]-	484.15301	212.0
[M]+	463.17779	212.7
[M]-	463.17889	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.18562

212.1

[M+Na]+

486.16756

215.3

[M-H]-

462.17106

221.4

[M+NH4]+

481.21216

221.6

[M+K]+

502.14150

209.4

[M+H-H2O]+

446.17560

202.0

[M+HCOO]-

508.17654

229.5

[M+CH3COO]-

522.19219

219.3

[M+Na-2H]-

484.15301

212.0

[M]+

463.17779

212.7

[M]-

463.17889

212.7

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

199110-64-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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