CID 46836872

1235318-89-4

Structural Information

Molecular Formula
C12H12N6S
SMILES
CC1=NC(=NC=C1)NC2=NC(=C(S2)C)C3=CNN=C3
InChI
InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)
InChIKey
MIQNXKWDQRNHAU-UHFFFAOYSA-N
Compound name
5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

28
Patents

272.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09168 158.0
[M+Na]+ 295.07362 170.5
[M-H]- 271.07712 162.6
[M+NH4]+ 290.11822 171.5
[M+K]+ 311.04756 164.2
[M+H-H2O]+ 255.08166 149.1
[M+HCOO]- 317.08260 175.8
[M+CH3COO]- 331.09825 170.1
[M+Na-2H]- 293.05907 159.5
[M]+ 272.08385 160.8
[M]- 272.08495 160.8
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