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]+ 261.141976 161.2
[M+Na]+ 283.123918 169.2
[M-H]- 259.127424 166.9
[M+NH4]+ 278.168523 179.1
[M+K]+ 299.097858 164.8
[M+H-H2O]+ 243.131960 154.1
[M+HCOO]- 305.132901 177.9
[M+CH3COO]- 319.148551 200.6
[M+Na-2H]- 281.109366 158.3
[M]+ 260.13415142 162.7
[M]- 260.13524858 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.