634896-96-1 (C26H23FN4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C(\C)/C4=CC=C(C=C4)F

InChI

InChI=1S/C26H23FN4O2/c1-17-3-5-19(6-4-17)16-33-23-13-9-21(10-14-23)24-15-25(30-29-24)26(32)31-28-18(2)20-7-11-22(27)12-8-20/h3-15H,16H2,1-2H3,(H,29,30)(H,31,32)/b28-18+

InChIKey

QYDWLRMIKPNRLV-MTDXEUNCSA-N

Compound name

N-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide

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]+	443.187776	206.7
[M+Na]+	465.169718	211.8
[M-H]-	441.173224	215.7
[M+NH4]+	460.214323	213.3
[M+K]+	481.143658	204.7
[M+H-H2O]+	425.177760	193.5
[M+HCOO]-	487.178701	227.2
[M+CH3COO]-	501.194351	214.4
[M+Na-2H]-	463.155166	206.1
[M]+	442.17995142	205.6
[M]-	442.18104858	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.187776

206.7

[M+Na]+

465.169718

211.8

[M-H]-

441.173224

215.7

[M+NH4]+

460.214323

213.3

[M+K]+

481.143658

204.7

[M+H-H2O]+

425.177760

193.5

[M+HCOO]-

487.178701

227.2

[M+CH3COO]-

501.194351

214.4

[M+Na-2H]-

463.155166

206.1

[M]+

442.17995142

205.6

[M]-

442.18104858

205.6

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

634896-96-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe