CID 11528958

Verdiperstat

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂S

SMILES

CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2

InChI

InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)

InChIKey

FVJCUZCRPIMVLB-UHFFFAOYSA-N

Compound name

1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 188
Patents: 253.0885 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

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]+	254.09578	156.6
[M+Na]+	276.07772	168.5
[M+NH4]+	271.12232	162.8
[M+K]+	292.05166	163.0
[M-H]-	252.08122	155.4
[M+Na-2H]-	274.06317	159.4
[M]+	253.08795	158.2
[M]-	253.08905	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe