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]+ 233.11070 153.1
[M+Na]+ 255.09264 162.3
[M-H]- 231.09614 159.0
[M+NH4]+ 250.13724 172.3
[M+K]+ 271.06658 157.9
[M+H-H2O]+ 215.10068 146.6
[M+HCOO]- 277.10162 171.2
[M+CH3COO]- 291.11727 191.4
[M+Na-2H]- 253.07809 154.8
[M]+ 232.10287 154.1
[M]- 232.10397 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.