PubChemLite - Trem2 agonist-2 (C24H23ClFN5O)

Structural Information

Molecular Formula

SMILES

CC1=NC2=CC(=NC(=C2N=C1C)C3=C(C=C(C=C3)Cl)F)[C@H]4CCO[C@H](C4)C5=CN(N=C5)C

InChI

InChI=1S/C24H23ClFN5O/c1-13-14(2)29-24-21(28-13)10-20(30-23(24)18-5-4-17(25)9-19(18)26)15-6-7-32-22(8-15)16-11-27-31(3)12-16/h4-5,9-12,15,22H,6-8H2,1-3H3/t15-,22+/m0/s1

InChIKey

DGBQOJDFECEEKU-OYHNWAKOSA-N

Compound name

5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine

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]+	452.16478	215.3
[M+Na]+	474.14672	227.0
[M-H]-	450.15022	222.0
[M+NH4]+	469.19132	219.5
[M+K]+	490.12066	217.8
[M+H-H2O]+	434.15476	200.2
[M+HCOO]-	496.15570	222.2
[M+CH3COO]-	510.17135	222.6
[M+Na-2H]-	472.13217	212.2
[M]+	451.15695	217.5
[M]-	451.15805	217.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.16478

215.3

[M+Na]+

474.14672

227.0

[M-H]-

450.15022

222.0

[M+NH4]+

469.19132

219.5

[M+K]+

490.12066

217.8

[M+H-H2O]+

434.15476

200.2

[M+HCOO]-

496.15570

222.2

[M+CH3COO]-

510.17135

222.6

[M+Na-2H]-

472.13217

212.2

[M]+

451.15695

217.5

[M]-

451.15805

217.5

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

Trem2 agonist-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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