CID 5354427

Furfuraldehyde thiosemicarbazone

Structural Information

Molecular Formula
C6H7N3OS
SMILES
C1=COC(=C1)/C=N\NC(=S)N
InChI
InChI=1S/C6H7N3OS/c7-6(11)9-8-4-5-2-1-3-10-5/h1-4H,(H3,7,9,11)/b8-4-
InChIKey
ZLHKUOXVUSHCLN-YWEYNIOJSA-N
Compound name
[(Z)-furan-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

26
Patents

169.03099 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.038266 134.3
[M+Na]+ 192.020208 141.5
[M-H]- 168.023714 139.8
[M+NH4]+ 187.064813 155.1
[M+K]+ 207.994148 140.3
[M+H-H2O]+ 152.028250 127.6
[M+HCOO]- 214.029191 157.6
[M+CH3COO]- 228.044841 182.5
[M+Na-2H]- 190.005656 138.6
[M]+ 169.03044142 134.3
[M]- 169.03153858 134.3
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

patents stripe