CID 236428

103740-34-7

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC(=CC(=C1)N)C2=CSC(=N2)N
InChI
InChI=1S/C9H9N3S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12)
InChIKey
NCWQWEQGANDQFS-UHFFFAOYSA-N
Compound name
4-(3-aminophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

191.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 137.9
[M+Na]+ 214.04093 149.7
[M+NH4]+ 209.08553 147.2
[M+K]+ 230.01487 143.3
[M-H]- 190.04443 142.8
[M+Na-2H]- 212.02638 145.8
[M]+ 191.05116 141.3
[M]- 191.05226 141.3
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