CID 9589536

2-furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C13H13N3O2S
SMILES
COC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H13N3O2S/c1-17-11-6-4-10(5-7-11)15-13(19)16-14-9-12-3-2-8-18-12/h2-9H,1H3,(H2,15,16,19)/b14-9+
InChIKey
CVZSXHJACQGDDB-NTEUORMPSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07285 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08013 162.3
[M+Na]+ 298.06207 168.8
[M-H]- 274.06557 171.3
[M+NH4]+ 293.10667 179.1
[M+K]+ 314.03601 166.3
[M+H-H2O]+ 258.07011 154.3
[M+HCOO]- 320.07105 186.0
[M+CH3COO]- 334.08670 202.5
[M+Na-2H]- 296.04752 166.3
[M]+ 275.07230 165.2
[M]- 275.07340 165.2
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.