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]+ 288.116496 166.0
[M+Na]+ 310.098438 179.9
[M-H]- 286.101944 172.2
[M+NH4]+ 305.143043 184.5
[M+K]+ 326.072378 175.0
[M+H-H2O]+ 270.106480 159.1
[M+HCOO]- 332.107421 184.5
[M+CH3COO]- 346.123071 179.5
[M+Na-2H]- 308.083886 165.1
[M]+ 287.10867142 175.0
[M]- 287.10976858 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.