CID 32889

Jingsongling

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC1=C(C(=CC=C1)C)NC2=NCCS2
InChI
InChI=1S/C11H14N2S/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKey
VLUXBNSRYHXDBV-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

42
Patents

206.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 144.9
[M+Na]+ 229.07699 157.3
[M+NH4]+ 224.12159 154.7
[M+K]+ 245.05093 149.7
[M-H]- 205.08049 149.7
[M+Na-2H]- 227.06244 152.5
[M]+ 206.08722 148.5
[M]- 206.08832 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe