CID 9620276

3-(4-methoxybenzylideneamino)-2-methyl-2-thiopseudourea

Structural Information

Molecular Formula
C10H13N3OS
SMILES
COC1=CC=C(C=C1)/C=N/N=C(\N)/SC
InChI
InChI=1S/C10H13N3OS/c1-14-9-5-3-8(4-6-9)7-12-13-10(11)15-2/h3-7H,1-2H3,(H2,11,13)/b12-7+
InChIKey
OQUDGLCSWWLRSD-KPKJPENVSA-N
Compound name
methyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 148.5
[M+Na]+ 246.06715 155.2
[M-H]- 222.07065 154.4
[M+NH4]+ 241.11175 167.6
[M+K]+ 262.04109 152.7
[M+H-H2O]+ 206.07519 140.8
[M+HCOO]- 268.07613 172.1
[M+CH3COO]- 282.09178 197.6
[M+Na-2H]- 244.05260 152.0
[M]+ 223.07738 150.7
[M]- 223.07848 150.7
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.