PubChemLite - N-alpha-(9-fluorenylmethyloxycarbonyl)-l-prolinyl-l-proline (C25H26N2O5)

Structural Information

Molecular Formula

SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C25H26N2O5/c28-23(26-13-6-12-22(26)24(29)30)21-11-5-14-27(21)25(31)32-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22H,5-6,11-15H2,(H,29,30)/t21-,22-/m0/s1

InChIKey

VRAQFWSWKRNOGU-VXKWHMMOSA-N

Compound name

(2S)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic 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]+	435.19145	203.9
[M+Na]+	457.17339	206.8
[M-H]-	433.17689	211.6
[M+NH4]+	452.21799	216.3
[M+K]+	473.14733	203.0
[M+H-H2O]+	417.18143	196.5
[M+HCOO]-	479.18237	216.2
[M+CH3COO]-	493.19802	211.2
[M+Na-2H]-	455.15884	195.8
[M]+	434.18362	202.3
[M]-	434.18472	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.19145

203.9

[M+Na]+

457.17339

206.8

[M-H]-

433.17689

211.6

[M+NH4]+

452.21799

216.3

[M+K]+

473.14733

203.0

[M+H-H2O]+

417.18143

196.5

[M+HCOO]-

479.18237

216.2

[M+CH3COO]-

493.19802

211.2

[M+Na-2H]-

455.15884

195.8

[M]+

434.18362

202.3

[M]-

434.18472

202.3

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

N-alpha-(9-fluorenylmethyloxycarbonyl)-l-prolinyl-l-proline

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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