CID 154853483

4-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H11N3S2
SMILES
CC1=C(N=C(S1)C)CC2=CSC(=N2)N
InChI
InChI=1S/C9H11N3S2/c1-5-8(11-6(2)14-5)3-7-4-13-9(10)12-7/h4H,3H2,1-2H3,(H2,10,12)
InChIKey
LSLGOCWFLSOEGM-UHFFFAOYSA-N
Compound name
4-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03944 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04672 144.7
[M+Na]+ 248.02866 157.9
[M-H]- 224.03216 150.5
[M+NH4]+ 243.07326 165.4
[M+K]+ 264.00260 153.0
[M+H-H2O]+ 208.03670 138.9
[M+HCOO]- 270.03764 161.1
[M+CH3COO]- 284.05329 158.8
[M+Na-2H]- 246.01411 143.0
[M]+ 225.03889 149.3
[M]- 225.03999 149.3
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.