CID 11820950

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

Structural Information

Molecular Formula
C12H15N3O2S
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C(\N)/SCC=C
InChI
InChI=1S/C12H15N3O2S/c1-3-8-18-12(13)15-14-11(16)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3,(H2,13,15)(H,14,16)
InChIKey
YXWHIFLVSMUZIX-UHFFFAOYSA-N
Compound name
prop-2-enyl N'-[(4-methoxybenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09578 160.3
[M+Na]+ 288.07772 165.4
[M-H]- 264.08122 164.4
[M+NH4]+ 283.12232 176.6
[M+K]+ 304.05166 162.1
[M+H-H2O]+ 248.08576 152.4
[M+HCOO]- 310.08670 181.1
[M+CH3COO]- 324.10235 203.3
[M+Na-2H]- 286.06317 161.5
[M]+ 265.08795 161.5
[M]- 265.08905 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.