CID 70521

1009-70-7

Structural Information

Molecular Formula
C9H10N2S
SMILES
C1CSC(=N1)NC2=CC=CC=C2
InChI
InChI=1S/C9H10N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-5H,6-7H2,(H,10,11)
InChIKey
NNRDYOXKIWFNPP-UHFFFAOYSA-N
Compound name
N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

110
Patents

178.05647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 134.8
[M+Na]+ 201.045688 142.7
[M-H]- 177.049194 140.5
[M+NH4]+ 196.090293 155.6
[M+K]+ 217.019628 139.4
[M+H-H2O]+ 161.053730 127.9
[M+HCOO]- 223.054671 155.1
[M+CH3COO]- 237.070321 148.3
[M+Na-2H]- 199.031136 139.3
[M]+ 178.05592142 133.7
[M]- 178.05701858 133.7
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