CID 3060866

Benzothiazole, 2-(4-ethyl-3,5-dimethyl-1h-pyrazol-1-yl)-6-methoxy-

Structural Information

Molecular Formula
C15H17N3OS
SMILES
CCC1=C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)OC)C
InChI
InChI=1S/C15H17N3OS/c1-5-12-9(2)17-18(10(12)3)15-16-13-7-6-11(19-4)8-14(13)20-15/h6-8H,5H2,1-4H3
InChIKey
NOGIJUYNDRWJGR-UHFFFAOYSA-N
Compound name
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.10922 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 166.0
[M+Na]+ 310.09844 179.9
[M-H]- 286.10194 172.2
[M+NH4]+ 305.14304 184.5
[M+K]+ 326.07238 175.0
[M+H-H2O]+ 270.10648 159.1
[M+HCOO]- 332.10742 184.5
[M+CH3COO]- 346.12307 179.5
[M+Na-2H]- 308.08389 165.1
[M]+ 287.10867 175.0
[M]- 287.10977 175.0
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.