CID 447956

4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine

Structural Information

Molecular Formula
C9H10N4S
SMILES
CC1=C(SC(=N1)C)C2=NC(=NC=C2)N
InChI
InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
InChIKey
CTFDMGIBHFQWKB-UHFFFAOYSA-N
Compound name
4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

62
Patents

206.06262 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06990 142.6
[M+Na]+ 229.05184 154.3
[M-H]- 205.05534 146.5
[M+NH4]+ 224.09644 160.3
[M+K]+ 245.02578 149.8
[M+H-H2O]+ 189.05988 134.9
[M+HCOO]- 251.06082 161.0
[M+CH3COO]- 265.07647 156.0
[M+Na-2H]- 227.03729 144.7
[M]+ 206.06207 144.2
[M]- 206.06317 144.2
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