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
5
Annotation Hits

9
References

191
Patents

253.0885 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 154.7
[M+Na]+ 276.07772 166.1
[M-H]- 252.08122 153.8
[M+NH4]+ 271.12232 170.6
[M+K]+ 292.05166 160.2
[M+H-H2O]+ 236.08576 148.3
[M+HCOO]- 298.08670 168.4
[M+CH3COO]- 312.10235 188.3
[M+Na-2H]- 274.06317 156.0
[M]+ 253.08795 158.6
[M]- 253.08905 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe