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]+ 216.05899 151.5
[M+Na]+ 238.04093 163.1
[M-H]- 214.04443 156.8
[M+NH4]+ 233.08553 169.1
[M+K]+ 254.01487 158.1
[M+H-H2O]+ 198.04897 137.7
[M+HCOO]- 260.04991 168.4
[M+CH3COO]- 274.06556 163.2
[M+Na-2H]- 236.02638 153.8
[M]+ 215.05116 147.9
[M]- 215.05226 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.