CID 116885288

2613383-60-9

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1=C(SC(=N1)C(C)C)C2=CC=C(C=C2)CN
InChI
InChI=1S/C14H18N2S/c1-9(2)14-16-10(3)13(17-14)12-6-4-11(8-15)5-7-12/h4-7,9H,8,15H2,1-3H3
InChIKey
MDTWIKROSITRLO-UHFFFAOYSA-N
Compound name
[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 157.3
[M+Na]+ 269.10828 169.6
[M+NH4]+ 264.15288 166.3
[M+K]+ 285.08222 162.4
[M-H]- 245.11178 161.8
[M+Na-2H]- 267.09373 164.0
[M]+ 246.11851 160.8
[M]- 246.11961 160.8
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.