CID 2404807

91215-17-7

Structural Information

Molecular Formula
C11H14N2S
SMILES
C1CSC(=N1)NCCC2=CC=CC=C2
InChI
InChI=1S/C11H14N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13)
InChIKey
WMGJVTLPBGGVBQ-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

206.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.095046 143.6
[M+Na]+ 229.076988 150.5
[M-H]- 205.080494 148.9
[M+NH4]+ 224.121593 163.3
[M+K]+ 245.050928 146.8
[M+H-H2O]+ 189.085030 136.3
[M+HCOO]- 251.085971 163.2
[M+CH3COO]- 265.101621 156.2
[M+Na-2H]- 227.062436 147.0
[M]+ 206.08722142 143.2
[M]- 206.08831858 143.2
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