CID 9613786

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

Structural Information

Molecular Formula
C10H12ClN3S
SMILES
C/C(=N\N=C(\N)/SC)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H12ClN3S/c1-7(13-14-10(12)15-2)8-3-5-9(11)6-4-8/h3-6H,1-2H3,(H2,12,14)/b13-7+
InChIKey
VBNQQNRLKGXFMK-NTUHNPAUSA-N
Compound name
methyl N'-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04405 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05133 153.2
[M+Na]+ 264.03327 160.4
[M-H]- 240.03677 159.2
[M+NH4]+ 259.07787 172.5
[M+K]+ 280.00721 156.2
[M+H-H2O]+ 224.04131 146.9
[M+HCOO]- 286.04225 171.0
[M+CH3COO]- 300.05790 200.1
[M+Na-2H]- 262.01872 155.0
[M]+ 241.04350 155.5
[M]- 241.04460 155.5
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.