CID 51051076

4-(4-methylthiophen-2-yl)phthalazin-1(2h)-one

Structural Information

Molecular Formula
C13H10N2OS
SMILES
CC1=CSC(=C1)C2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C13H10N2OS/c1-8-6-11(17-7-8)12-9-4-2-3-5-10(9)13(16)15-14-12/h2-7H,1H3,(H,15,16)
InChIKey
GERPDYWUNHKFEM-UHFFFAOYSA-N
Compound name
4-(4-methylthiophen-2-yl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

242.05139 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05867 150.7
[M+Na]+ 265.04061 167.0
[M+NH4]+ 260.08521 160.1
[M+K]+ 281.01455 158.7
[M-H]- 241.04411 154.8
[M+Na-2H]- 263.02606 159.5
[M]+ 242.05084 154.8
[M]- 242.05194 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe