CID 16227734

5-(1-methyl-1h-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H12N4S
SMILES
CN1C=CN=C1C2=C(N=C(S2)N)C3=CC=CC=C3
InChI
InChI=1S/C13H12N4S/c1-17-8-7-15-12(17)11-10(16-13(14)18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)
InChIKey
GRTYTGCZSPTYJI-UHFFFAOYSA-N
Compound name
5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07828 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08556 154.7
[M+Na]+ 279.06750 167.3
[M-H]- 255.07100 162.7
[M+NH4]+ 274.11210 172.1
[M+K]+ 295.04144 161.7
[M+H-H2O]+ 239.07554 146.7
[M+HCOO]- 301.07648 175.8
[M+CH3COO]- 315.09213 168.4
[M+Na-2H]- 277.05295 155.5
[M]+ 256.07773 157.9
[M]- 256.07883 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.