CID 11821042

1-[(e)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methyl-isothiourea

Structural Information

Molecular Formula
C10H11Cl2N3S
SMILES
C/C(=N\N=C(\N)/SC)/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2N3S/c1-6(14-15-10(13)16-2)8-4-3-7(11)5-9(8)12/h3-5H,1-2H3,(H2,13,15)/b14-6+
InChIKey
SDAXSQVZANKIIB-MKMNVTDBSA-N
Compound name
methyl N'-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.00507 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01235 160.0
[M+Na]+ 297.99429 168.1
[M-H]- 273.99779 165.5
[M+NH4]+ 293.03889 178.5
[M+K]+ 313.96823 162.7
[M+H-H2O]+ 258.00233 154.9
[M+HCOO]- 320.00327 172.7
[M+CH3COO]- 334.01892 205.6
[M+Na-2H]- 295.97974 160.3
[M]+ 275.00452 163.6
[M]- 275.00562 163.6
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.