PubChemLite - Linaprazan glurate (C26H32N4O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)NCCOC(=O)CCCC(=O)O

InChI

InChI=1S/C26H32N4O5/c1-16-7-5-8-17(2)21(16)14-28-22-13-20(15-30-19(4)18(3)29-25(22)30)26(34)27-11-12-35-24(33)10-6-9-23(31)32/h5,7-8,13,15,28H,6,9-12,14H2,1-4H3,(H,27,34)(H,31,32)

InChIKey

GPHPBXRKAJSSIC-UHFFFAOYSA-N

Compound name

5-[2-[[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carbonyl]amino]ethoxy]-5-oxopentanoic 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]+	481.24455	218.9
[M+Na]+	503.22649	224.2
[M-H]-	479.22999	223.1
[M+NH4]+	498.27109	225.6
[M+K]+	519.20043	219.9
[M+H-H2O]+	463.23453	208.8
[M+HCOO]-	525.23547	237.2
[M+CH3COO]-	539.25112	245.1
[M+Na-2H]-	501.21194	215.8
[M]+	480.23672	226.1
[M]-	480.23782	226.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.24455

218.9

[M+Na]+

503.22649

224.2

[M-H]-

479.22999

223.1

[M+NH4]+

498.27109

225.6

[M+K]+

519.20043

219.9

[M+H-H2O]+

463.23453

208.8

[M+HCOO]-

525.23547

237.2

[M+CH3COO]-

539.25112

245.1

[M+Na-2H]-

501.21194

215.8

[M]+

480.23672

226.1

[M]-

480.23782

226.1

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

Linaprazan glurate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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