CID 62077499

4-tert-butyl-2-phenyl-1,3-thiazol-5-amine

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC(C)(C)C1=C(SC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C13H16N2S/c1-13(2,3)10-11(14)16-12(15-10)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3
InChIKey
GJRDHAMPONGEHL-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-phenyl-1,3-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 153.1
[M+Na]+ 255.092638 162.3
[M-H]- 231.096144 159.0
[M+NH4]+ 250.137243 172.3
[M+K]+ 271.066578 157.9
[M+H-H2O]+ 215.100680 146.6
[M+HCOO]- 277.101621 171.2
[M+CH3COO]- 291.117271 191.4
[M+Na-2H]- 253.078086 154.8
[M]+ 232.10287142 154.1
[M]- 232.10396858 154.1
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.