CID 25490799

950029-09-1

Structural Information

Molecular Formula
C11H12ClN3OS
SMILES
CC1=C(C(=O)N(N=C1C)C)C2=NC(=CS2)CCl
InChI
InChI=1S/C11H12ClN3OS/c1-6-7(2)14-15(3)11(16)9(6)10-13-8(4-12)5-17-10/h5H,4H2,1-3H3
InChIKey
QOQVBPHWFDJNBM-UHFFFAOYSA-N
Compound name
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.03897 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04625 159.9
[M+Na]+ 292.02819 175.4
[M+NH4]+ 287.07279 167.9
[M+K]+ 308.00213 167.7
[M-H]- 268.03169 162.4
[M+Na-2H]- 290.01364 166.2
[M]+ 269.03842 163.6
[M]- 269.03952 163.6
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

No patent data available for this compound.