PubChemLite - 313051-96-6 (C27H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H32N2O6/c1-27(2,3)35-26(33)29-14-12-17(13-15-29)23(24(30)31)28-25(32)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22-23H,12-16H2,1-3H3,(H,28,32)(H,30,31)

InChIKey

ATJZZVCJRHLAGA-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic 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]+	481.23332	214.2
[M+Na]+	503.21526	214.6
[M-H]-	479.21876	218.2
[M+NH4]+	498.25986	222.2
[M+K]+	519.18920	212.4
[M+H-H2O]+	463.22330	205.9
[M+HCOO]-	525.22424	224.0
[M+CH3COO]-	539.23989	237.2
[M+Na-2H]-	501.20071	212.0
[M]+	480.22549	214.0
[M]-	480.22659	214.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.23332

214.2

[M+Na]+

503.21526

214.6

[M-H]-

479.21876

218.2

[M+NH4]+

498.25986

222.2

[M+K]+

519.18920

212.4

[M+H-H2O]+

463.22330

205.9

[M+HCOO]-

525.22424

224.0

[M+CH3COO]-

539.23989

237.2

[M+Na-2H]-

501.20071

212.0

[M]+

480.22549

214.0

[M]-

480.22659

214.0

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

313051-96-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe