CID 6858577

Thiophen-2-ylmethylene-[1,2,4]triazol-4-yl-amine

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CSC(=C1)/C=N/N2C=NN=C2
InChI
InChI=1S/C7H6N4S/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H/b10-4+
InChIKey
PJAGEXMIPIJTKK-ONNFQVAWSA-N
Compound name
(E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

178.03131 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03859 134.3
[M+Na]+ 201.02053 146.7
[M+NH4]+ 196.06513 142.9
[M+K]+ 216.99447 141.7
[M-H]- 177.02403 137.2
[M+Na-2H]- 199.00598 142.7
[M]+ 178.03076 137.2
[M]- 178.03186 137.2
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.