CID 135599701

N-(2,6-dimethylphenyl)-n'-(((2-(ethylthio)ethyl)amino)iminomethyl)urea hydrochloride

Structural Information

Molecular Formula
C14H22N4OS
SMILES
CCSCCN/N=C/NC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C14H22N4OS/c1-4-20-9-8-16-17-10-15-14(19)18-13-11(2)6-5-7-12(13)3/h5-7,10,16H,4,8-9H2,1-3H3,(H2,15,17,18,19)
InChIKey
FDQORAQZUBCCSC-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-(2-ethylsulfanylethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15143 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15871 170.6
[M+Na]+ 317.14065 178.1
[M+NH4]+ 312.18525 177.1
[M+K]+ 333.11459 169.8
[M-H]- 293.14415 174.1
[M+Na-2H]- 315.12610 175.1
[M]+ 294.15088 172.7
[M]- 294.15198 172.7
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.