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]+ 257.085556 154.7
[M+Na]+ 279.067498 167.3
[M-H]- 255.071004 162.7
[M+NH4]+ 274.112103 172.1
[M+K]+ 295.041438 161.7
[M+H-H2O]+ 239.075540 146.7
[M+HCOO]- 301.076481 175.8
[M+CH3COO]- 315.092131 168.4
[M+Na-2H]- 277.052946 155.5
[M]+ 256.07773142 157.9
[M]- 256.07882858 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.