CID 16786472

953732-52-0

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC(C)C1=C(N=C(S1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2S/c1-8(2)11-10(14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14)
InChIKey
IRROOFDKQPHXMI-UHFFFAOYSA-N
Compound name
4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.095046 147.7
[M+Na]+ 241.076988 156.6
[M-H]- 217.080494 153.5
[M+NH4]+ 236.121593 167.2
[M+K]+ 257.050928 152.4
[M+H-H2O]+ 201.085030 140.8
[M+HCOO]- 263.085971 166.6
[M+CH3COO]- 277.101621 160.7
[M+Na-2H]- 239.062436 148.1
[M]+ 218.08722142 148.4
[M]- 218.08831858 148.4
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

patents stripe