PubChemLite - 2435604-13-8 (C24H22F5N3O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)C(CNC(=O)C2=C(N=NC(=C2C)C)OC3=CC=CC(=C3)C(F)(F)F)(F)F)C

InChI

InChI=1S/C24H22F5N3O2/c1-13-8-9-19(14(2)10-13)23(25,26)12-30-21(33)20-15(3)16(4)31-32-22(20)34-18-7-5-6-17(11-18)24(27,28)29/h5-11H,12H2,1-4H3,(H,30,33)

InChIKey

ZCYHNUUVAZEGNV-UHFFFAOYSA-N

Compound name

N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazine-4-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]+	480.17048	216.1
[M+Na]+	502.15242	225.0
[M-H]-	478.15592	217.4
[M+NH4]+	497.19702	221.0
[M+K]+	518.12636	217.9
[M+H-H2O]+	462.16046	200.9
[M+HCOO]-	524.16140	227.2
[M+CH3COO]-	538.17705	242.0
[M+Na-2H]-	500.13787	215.1
[M]+	479.16265	213.2
[M]-	479.16375	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.17048

216.1

[M+Na]+

502.15242

225.0

[M-H]-

478.15592

217.4

[M+NH4]+

497.19702

221.0

[M+K]+

518.12636

217.9

[M+H-H2O]+

462.16046

200.9

[M+HCOO]-

524.16140

227.2

[M+CH3COO]-

538.17705

242.0

[M+Na-2H]-

500.13787

215.1

[M]+

479.16265

213.2

[M]-

479.16375

213.2

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

2435604-13-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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