CID 9589539

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

Structural Information

Molecular Formula
C13H13N3O2S
SMILES
COC1=CC=CC(=C1)NC(=S)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H13N3O2S/c1-17-11-5-2-4-10(8-11)15-13(19)16-14-9-12-6-3-7-18-12/h2-9H,1H3,(H2,15,16,19)/b14-9+
InChIKey
CCVWKUUGLUPLMM-NTEUORMPSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(3-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 163.3
[M+Na]+ 298.06207 172.9
[M+NH4]+ 293.10667 170.8
[M+K]+ 314.03601 166.7
[M-H]- 274.06557 169.4
[M+Na-2H]- 296.04752 169.9
[M]+ 275.07230 166.5
[M]- 275.07340 166.5
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.