PubChemLite - Cudc-907 (C23H24N8O4S)

Structural Information

Molecular Formula

SMILES

CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO

InChI

InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)

InChIKey

JOWXJLIFIIOYMS-UHFFFAOYSA-N

Compound name

N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-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]+	509.17140	212.3
[M+Na]+	531.15334	225.6
[M+NH4]+	526.19794	215.9
[M+K]+	547.12728	221.1
[M-H]-	507.15684	218.6
[M+Na-2H]-	529.13879	220.0
[M]+	508.16357	216.2
[M]-	508.16467	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.17140

212.3

[M+Na]+

531.15334

225.6

[M+NH4]+

526.19794

215.9

[M+K]+

547.12728

221.1

[M-H]-

507.15684

218.6

[M+Na-2H]-

529.13879

220.0

[M]+

508.16357

216.2

[M]-

508.16467

216.2

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

Cudc-907

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe