CID 9561005

Sri-224

Structural Information

Molecular Formula
C10H13N3OS
SMILES
C/C(=N\NC(=S)N)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C10H13N3OS/c1-7(12-13-10(11)15)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H3,11,13,15)/b12-7+
InChIKey
JPXKIPVPEBSPLT-KPKJPENVSA-N
Compound name
[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

223.07793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 149.1
[M+Na]+ 246.06715 154.9
[M-H]- 222.07065 153.5
[M+NH4]+ 241.11175 167.2
[M+K]+ 262.04109 152.1
[M+H-H2O]+ 206.07519 141.7
[M+HCOO]- 268.07613 170.1
[M+CH3COO]- 282.09178 196.7
[M+Na-2H]- 244.05260 151.1
[M]+ 223.07738 148.9
[M]- 223.07848 148.9
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.