CID 605564

2-amino-4-(4-aminophenyl)thiazole

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)N
InChI
InChI=1S/C9H9N3S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12)
InChIKey
VCALEXDZEAGCPD-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

99
Patents

191.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 137.1
[M+Na]+ 214.04093 146.8
[M-H]- 190.04443 142.8
[M+NH4]+ 209.08553 157.1
[M+K]+ 230.01487 142.2
[M+H-H2O]+ 174.04897 130.3
[M+HCOO]- 236.04991 158.4
[M+CH3COO]- 250.06556 150.8
[M+Na-2H]- 212.02638 139.9
[M]+ 191.05116 135.6
[M]- 191.05226 135.6
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