CID 9563074

Thiophene-2-aldehyde semicarbazone

Structural Information

Molecular Formula
C6H7N3OS
SMILES
C1=CSC(=C1)/C=N/NC(=O)N
InChI
InChI=1S/C6H7N3OS/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
InChIKey
WAZNQENKQABSNN-XBXARRHUSA-N
Compound name
[(E)-thiophen-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

169.03099 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03827 133.0
[M+Na]+ 192.02021 140.0
[M-H]- 168.02371 137.8
[M+NH4]+ 187.06481 154.9
[M+K]+ 207.99415 138.1
[M+H-H2O]+ 152.02825 126.2
[M+HCOO]- 214.02919 157.1
[M+CH3COO]- 228.04484 182.6
[M+Na-2H]- 190.00566 136.6
[M]+ 169.03044 132.4
[M]- 169.03154 132.4
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