CID 1472776

4-(3-methylthiophen-2-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C9H9N3S
SMILES
CC1=C(SC=C1)C2=NC(=NC=C2)N
InChI
InChI=1S/C9H9N3S/c1-6-3-5-13-8(6)7-2-4-11-9(10)12-7/h2-5H,1H3,(H2,10,11,12)
InChIKey
FQQZSGNHBBJFAY-UHFFFAOYSA-N
Compound name
4-(3-methylthiophen-2-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 137.9
[M+Na]+ 214.040928 148.6
[M-H]- 190.044434 142.8
[M+NH4]+ 209.085533 157.2
[M+K]+ 230.014868 144.4
[M+H-H2O]+ 174.048970 130.7
[M+HCOO]- 236.049911 157.6
[M+CH3COO]- 250.065561 151.7
[M+Na-2H]- 212.026376 140.8
[M]+ 191.05116142 138.6
[M]- 191.05225858 138.6
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.