PubChemLite - 197632-75-0 (C32H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C32H32N2O6/c1-32(2,3)40-31(38)34-18-20(21-11-9-10-16-27(21)34)17-28(29(35)36)33(4)30(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26,28H,17,19H2,1-4H3,(H,35,36)/t28-/m0/s1

InChIKey

YMZUDCKQUKFBIR-NDEPHWFRSA-N

Compound name

(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]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]+	541.23328	232.8
[M+Na]+	563.21522	236.0
[M-H]-	539.21872	241.1
[M+NH4]+	558.25982	241.9
[M+K]+	579.18916	234.1
[M+H-H2O]+	523.22326	224.9
[M+HCOO]-	585.22420	247.1
[M+CH3COO]-	599.23985	251.6
[M+Na-2H]-	561.20067	230.3
[M]+	540.22545	240.7
[M]-	540.22655	240.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.23328

232.8

[M+Na]+

563.21522

236.0

[M-H]-

539.21872

241.1

[M+NH4]+

558.25982

241.9

[M+K]+

579.18916

234.1

[M+H-H2O]+

523.22326

224.9

[M+HCOO]-

585.22420

247.1

[M+CH3COO]-

599.23985

251.6

[M+Na-2H]-

561.20067

230.3

[M]+

540.22545

240.7

[M]-

540.22655

240.7

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

197632-75-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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