CID 6022633

2-methyl-1-[(e)-1-phenylethylideneamino]isothiourea

Structural Information

Molecular Formula
C10H13N3S
SMILES
C/C(=N\N=C(\N)/SC)/C1=CC=CC=C1
InChI
InChI=1S/C10H13N3S/c1-8(12-13-10(11)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,13)/b12-8+
InChIKey
DVVVZOBYOOTDAM-XYOKQWHBSA-N
Compound name
methyl N'-[(E)-1-phenylethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 146.0
[M+Na]+ 230.07224 151.7
[M-H]- 206.07574 151.7
[M+NH4]+ 225.11684 165.5
[M+K]+ 246.04618 149.3
[M+H-H2O]+ 190.08028 138.4
[M+HCOO]- 252.08122 168.4
[M+CH3COO]- 266.09687 195.3
[M+Na-2H]- 228.05769 149.1
[M]+ 207.08247 145.9
[M]- 207.08357 145.9
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.