CID 3745065

4-[2,4-bis(propan-2-yl)phenyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C15H20N2S
SMILES
CC(C)C1=CC(=C(C=C1)C2=CSC(=N2)N)C(C)C
InChI
InChI=1S/C15H20N2S/c1-9(2)11-5-6-12(13(7-11)10(3)4)14-8-18-15(16)17-14/h5-10H,1-4H3,(H2,16,17)
InChIKey
ZONWSTSGGSUDLI-UHFFFAOYSA-N
Compound name
4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1347 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 161.2
[M+Na]+ 283.12392 169.2
[M-H]- 259.12742 166.9
[M+NH4]+ 278.16852 179.1
[M+K]+ 299.09786 164.8
[M+H-H2O]+ 243.13196 154.1
[M+HCOO]- 305.13290 177.9
[M+CH3COO]- 319.14855 200.6
[M+Na-2H]- 281.10937 158.3
[M]+ 260.13415 162.7
[M]- 260.13525 162.7
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.