CID 9574979

3-furancarbothioamide, n-[[4-chloro-3-(dimethylhydrazono)methyl]phenyl]-2-methyl

Structural Information

Molecular Formula
C15H16ClN3OS
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/N(C)C
InChI
InChI=1S/C15H16ClN3OS/c1-10-13(6-7-20-10)15(21)18-12-4-5-14(16)11(8-12)9-17-19(2)3/h4-9H,1-3H3,(H,18,21)/b17-9+
InChIKey
AORFOJRALHQGLN-RQZCQDPDSA-N
Compound name
N-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07753 178.9
[M+Na]+ 344.05947 187.1
[M-H]- 320.06297 189.6
[M+NH4]+ 339.10407 195.9
[M+K]+ 360.03341 183.2
[M+H-H2O]+ 304.06751 171.8
[M+HCOO]- 366.06845 197.4
[M+CH3COO]- 380.08410 216.3
[M+Na-2H]- 342.04492 178.9
[M]+ 321.06970 185.4
[M]- 321.07080 185.4
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.