CID 3058467

75307-13-0

Structural Information

Molecular Formula
C13H13N3OS
SMILES
CC1=CC(=NN1C2=NC3=C(S2)C=C(C=C3)OC)C
InChI
InChI=1S/C13H13N3OS/c1-8-6-9(2)16(15-8)13-14-11-5-4-10(17-3)7-12(11)18-13/h4-7H,1-3H3
InChIKey
DGIXUFYXLOJRRG-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07794 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.085216 156.9
[M+Na]+ 282.067158 170.9
[M-H]- 258.070664 163.1
[M+NH4]+ 277.111763 176.3
[M+K]+ 298.041098 166.6
[M+H-H2O]+ 242.075200 150.1
[M+HCOO]- 304.076141 176.1
[M+CH3COO]- 318.091791 171.0
[M+Na-2H]- 280.052606 157.7
[M]+ 259.07739142 164.8
[M]- 259.07848858 164.8
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

No patent data available for this compound.