CID 9574848

Chembl3091847

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC(C)/C=N/NC(=O)C1=CC=CS1
InChI
InChI=1S/C9H12N2OS/c1-7(2)6-10-11-9(12)8-4-3-5-13-8/h3-7H,1-2H3,(H,11,12)/b10-6+
InChIKey
WPFPUAJGSHQSSJ-UXBLZVDNSA-N
Compound name
N-[(E)-2-methylpropylideneamino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

196.06703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 144.5
[M+Na]+ 219.05625 150.9
[M-H]- 195.05975 149.6
[M+NH4]+ 214.10085 166.1
[M+K]+ 235.03019 149.2
[M+H-H2O]+ 179.06429 137.8
[M+HCOO]- 241.06523 166.3
[M+CH3COO]- 255.08088 188.1
[M+Na-2H]- 217.04170 145.8
[M]+ 196.06648 146.3
[M]- 196.06758 146.3
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.