CID 1493677

91093-88-8

Structural Information

Molecular Formula
C11H9N3S
SMILES
CC1=NSC(=C1C#N)NC2=CC=CC=C2
InChI
InChI=1S/C11H9N3S/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h2-6,13H,1H3
InChIKey
JOPGWNWRNVAFPC-UHFFFAOYSA-N
Compound name
5-anilino-3-methyl-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

215.05171 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.058986 151.5
[M+Na]+ 238.040928 163.1
[M-H]- 214.044434 156.8
[M+NH4]+ 233.085533 169.1
[M+K]+ 254.014868 158.1
[M+H-H2O]+ 198.048970 137.7
[M+HCOO]- 260.049911 168.4
[M+CH3COO]- 274.065561 163.2
[M+Na-2H]- 236.026376 153.8
[M]+ 215.05116142 147.9
[M]- 215.05225858 147.9
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

No patent data available for this compound.