CID 21455552

2-amino-4-phenylthiazole-5-carbonitrile

Structural Information

Molecular Formula
C10H7N3S
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)N)C#N
InChI
InChI=1S/C10H7N3S/c11-6-8-9(13-10(12)14-8)7-4-2-1-3-5-7/h1-5H,(H2,12,13)
InChIKey
JHEXUURKXQZMDP-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

201.03607 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.043346 148.3
[M+Na]+ 224.025288 160.4
[M-H]- 200.028794 153.3
[M+NH4]+ 219.069893 166.2
[M+K]+ 239.999228 155.2
[M+H-H2O]+ 184.033330 134.8
[M+HCOO]- 246.034271 165.0
[M+CH3COO]- 260.049921 160.2
[M+Na-2H]- 222.010736 150.1
[M]+ 201.03552142 143.5
[M]- 201.03661858 143.5
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

patents stripe