CID 9589056

Brn 4254509

Structural Information

Molecular Formula
C11H13ClN2OS
SMILES
C/C(=N\NC(=O)CSC)/C1=CC=CC=C1Cl
InChI
InChI=1S/C11H13ClN2OS/c1-8(13-14-11(15)7-16-2)9-5-3-4-6-10(9)12/h3-6H,7H2,1-2H3,(H,14,15)/b13-8+
InChIKey
OTPUWNTUMHPJJN-MDWZMJQESA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0437 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05098 156.6
[M+Na]+ 279.03292 167.6
[M+NH4]+ 274.07752 165.0
[M+K]+ 295.00686 158.8
[M-H]- 255.03642 159.7
[M+Na-2H]- 277.01837 162.5
[M]+ 256.04315 159.6
[M]- 256.04425 159.6
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.