PubChemLite - Firuglipel (C25H26FN3O5)

Structural Information

Molecular Formula

SMILES

CC[C@H](C1=NC(=NO1)C2=CC(=C(C=C2)C(=O)N[C@H](C)CO)F)OC3=CC=C(C=C3)C(=O)C4CC4

InChI

InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1

InChIKey

LRXRIKVDAVVQCP-SPLOXXLWSA-N

Compound name

4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide

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]+	468.19292	213.8
[M+Na]+	490.17486	224.6
[M+NH4]+	485.21946	217.3
[M+K]+	506.14880	223.6
[M-H]-	466.17836	223.9
[M+Na-2H]-	488.16031	220.3
[M]+	467.18509	218.9
[M]-	467.18619	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.19292

213.8

[M+Na]+

490.17486

224.6

[M+NH4]+

485.21946

217.3

[M+K]+

506.14880

223.6

[M-H]-

466.17836

223.9

[M+Na-2H]-

488.16031

220.3

[M]+

467.18509

218.9

[M]-

467.18619

218.9

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

Firuglipel

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe