PubChemLite - 1020668-59-0 (C23H24F2N6O5)

Structural Information

Molecular Formula

SMILES

CC1=CN=C(C=N1)NC(=O)C2=CC(=CC(=C2)O[C@@H](C)COC(F)F)OC3=NC=C(N=C3)C(=O)N(C)C

InChI

InChI=1S/C23H24F2N6O5/c1-13-8-28-19(10-26-13)30-21(32)15-5-16(35-14(2)12-34-23(24)25)7-17(6-15)36-20-11-27-18(9-29-20)22(33)31(3)4/h5-11,14,23H,12H2,1-4H3,(H,28,30,32)/t14-/m0/s1

InChIKey

RBYJCAVKEDZBDN-AWEZNQCLSA-N

Compound name

5-[3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-[(5-methylpyrazin-2-yl)carbamoyl]phenoxy]-N,N-dimethylpyrazine-2-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]+	503.18488	215.1
[M+Na]+	525.16682	219.4
[M-H]-	501.17032	218.5
[M+NH4]+	520.21142	215.3
[M+K]+	541.14076	216.9
[M+H-H2O]+	485.17486	200.0
[M+HCOO]-	547.17580	229.9
[M+CH3COO]-	561.19145	249.7
[M+Na-2H]-	523.15227	214.5
[M]+	502.17705	218.9
[M]-	502.17815	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.18488

215.1

[M+Na]+

525.16682

219.4

[M-H]-

501.17032

218.5

[M+NH4]+

520.21142

215.3

[M+K]+

541.14076

216.9

[M+H-H2O]+

485.17486

200.0

[M+HCOO]-

547.17580

229.9

[M+CH3COO]-

561.19145

249.7

[M+Na-2H]-

523.15227

214.5

[M]+

502.17705

218.9

[M]-

502.17815

218.9

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

1020668-59-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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