PubChemLite - 1245603-92-2 (C22H20N6O4)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(O1)C=C(C=C2OC3=CN=C(N=C3)C(=O)N(C)C)C(=O)NC4=NC=C(N=C4)C

InChI

InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)

InChIKey

MASKQITXHVYVFL-UHFFFAOYSA-N

Compound name

N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrimidine-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]+	433.16188	204.1
[M+Na]+	455.14382	212.7
[M-H]-	431.14732	213.2
[M+NH4]+	450.18842	209.3
[M+K]+	471.11776	209.7
[M+H-H2O]+	415.15186	191.8
[M+HCOO]-	477.15280	223.9
[M+CH3COO]-	491.16845	213.3
[M+Na-2H]-	453.12927	206.9
[M]+	432.15405	211.2
[M]-	432.15515	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.16188

204.1

[M+Na]+

455.14382

212.7

[M-H]-

431.14732

213.2

[M+NH4]+

450.18842

209.3

[M+K]+

471.11776

209.7

[M+H-H2O]+

415.15186

191.8

[M+HCOO]-

477.15280

223.9

[M+CH3COO]-

491.16845

213.3

[M+Na-2H]-

453.12927

206.9

[M]+

432.15405

211.2

[M]-

432.15515

211.2

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

1245603-92-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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