PubChemLite - 2412089-96-2 (C24H18F2N4O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=CO4)C5=C(C(=CC=C5)N)F)F

InChI

InChI=1S/C24H18F2N4O2/c25-17-8-2-1-5-14(17)11-19-23-29-20(12-15-6-4-10-32-15)24(31)30(23)13-21(28-19)16-7-3-9-18(27)22(16)26/h1-10,13,31H,11-12,27H2

InChIKey

ZCOXIHLUZKFAPD-UHFFFAOYSA-N

Compound name

6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

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]+	433.14705	201.7
[M+Na]+	455.12899	213.4
[M-H]-	431.13249	210.4
[M+NH4]+	450.17359	209.6
[M+K]+	471.10293	205.5
[M+H-H2O]+	415.13703	189.6
[M+HCOO]-	477.13797	220.0
[M+CH3COO]-	491.15362	211.2
[M+Na-2H]-	453.11444	200.2
[M]+	432.13922	203.5
[M]-	432.14032	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.14705

201.7

[M+Na]+

455.12899

213.4

[M-H]-

431.13249

210.4

[M+NH4]+

450.17359

209.6

[M+K]+

471.10293

205.5

[M+H-H2O]+

415.13703

189.6

[M+HCOO]-

477.13797

220.0

[M+CH3COO]-

491.15362

211.2

[M+Na-2H]-

453.11444

200.2

[M]+

432.13922

203.5

[M]-

432.14032

203.5

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

2412089-96-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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