CID 43714

Cymiazole

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C
InChI
InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3
InChIKey
YUAUPYJCVKNAEC-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

3390
Patents

218.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 148.4
[M+Na]+ 241.07699 162.4
[M+NH4]+ 236.12159 158.2
[M+K]+ 257.05093 154.1
[M-H]- 217.08049 153.7
[M+Na-2H]- 239.06244 156.8
[M]+ 218.08722 152.5
[M]- 218.08832 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe