PubChemLite - Hibercell gcn2 inhibitor hc-7366 (C20H15ClF2N6O4S)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C2C=NC(=CN2C=N1)C3=C(C=CC(=C3F)NS(=O)(=O)C4=C(N=CC(=C4)Cl)OC)F

InChI

InChI=1S/C20H15ClF2N6O4S/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2/h3-9,28H,1-2H3,(H,24,30)

InChIKey

KIGXQRBUVDDSPP-UHFFFAOYSA-N

Compound name

6-[3-[(5-chloro-2-methoxypyridin-3-yl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-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]+	509.06050	213.3
[M+Na]+	531.04244	225.6
[M-H]-	507.04594	218.7
[M+NH4]+	526.08704	218.4
[M+K]+	547.01638	217.9
[M+H-H2O]+	491.05048	202.2
[M+HCOO]-	553.05142	222.4
[M+CH3COO]-	567.06707	241.7
[M+Na-2H]-	529.02789	215.4
[M]+	508.05267	221.1
[M]-	508.05377	221.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.06050

213.3

[M+Na]+

531.04244

225.6

[M-H]-

507.04594

218.7

[M+NH4]+

526.08704

218.4

[M+K]+

547.01638

217.9

[M+H-H2O]+

491.05048

202.2

[M+HCOO]-

553.05142

222.4

[M+CH3COO]-

567.06707

241.7

[M+Na-2H]-

529.02789

215.4

[M]+

508.05267

221.1

[M]-

508.05377

221.1

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

Hibercell gcn2 inhibitor hc-7366

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe