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
6
Annotation Hits

5
References

3940
Patents

218.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.095046 146.4
[M+Na]+ 241.076988 157.4
[M-H]- 217.080494 154.6
[M+NH4]+ 236.121593 167.4
[M+K]+ 257.050928 153.4
[M+H-H2O]+ 201.085030 139.5
[M+HCOO]- 263.085971 168.7
[M+CH3COO]- 277.101621 191.7
[M+Na-2H]- 239.062436 148.5
[M]+ 218.08722142 150.2
[M]- 218.08831858 150.2
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