CID 6536759

4-methoxy-benzoic acid (amino-methylsulfanyl-methylene)-hydrazide

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C(\N)/SC
InChI
InChI=1S/C10H13N3O2S/c1-15-8-5-3-7(4-6-8)9(14)12-13-10(11)16-2/h3-6H,1-2H3,(H2,11,13)(H,12,14)
InChIKey
AJNBZIXMVSHUJM-UHFFFAOYSA-N
Compound name
methyl N'-[(4-methoxybenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 152.4
[M+Na]+ 262.06207 158.1
[M-H]- 238.06557 156.8
[M+NH4]+ 257.10667 169.9
[M+K]+ 278.03601 155.9
[M+H-H2O]+ 222.07011 144.8
[M+HCOO]- 284.07105 173.7
[M+CH3COO]- 298.08670 198.2
[M+Na-2H]- 260.04752 154.5
[M]+ 239.07230 153.5
[M]- 239.07340 153.5
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.