CID 5717720

2-furaldehyde, 4-phenylthiosemicarbazone

Structural Information

Molecular Formula
C12H11N3OS
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H11N3OS/c17-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11/h1-9H,(H2,14,15,17)/b13-9+
InChIKey
VEVZWLDVAFRIQA-UKTHLTGXSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

245.06229 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 155.4
[M+Na]+ 268.05151 165.4
[M+NH4]+ 263.09611 163.7
[M+K]+ 284.02545 158.7
[M-H]- 244.05501 162.0
[M+Na-2H]- 266.03696 163.0
[M]+ 245.06174 158.9
[M]- 245.06284 158.9
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.