PubChemLite - Imiglitazar (C28H26N2O5)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=C(C=C3)CO/N=C(\CCC(=O)O)/C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+

InChIKey

ULVDFHLHKNJICZ-QCWLDUFUSA-N

Compound name

(4E)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic 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]+	471.19145	216.2
[M+Na]+	493.17339	229.8
[M+NH4]+	488.21799	221.2
[M+K]+	509.14733	224.0
[M-H]-	469.17689	224.1
[M+Na-2H]-	491.15884	225.2
[M]+	470.18362	220.3
[M]-	470.18472	220.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.19145

216.2

[M+Na]+

493.17339

229.8

[M+NH4]+

488.21799

221.2

[M+K]+

509.14733

224.0

[M-H]-

469.17689

224.1

[M+Na-2H]-

491.15884

225.2

[M]+

470.18362

220.3

[M]-

470.18472

220.3

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

Imiglitazar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe