CID 2024171

3-(cinnamylthio)-5-(2-pyridinyl)-4h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C16H15N5S
SMILES
C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2N)C3=CC=CC=N3
InChI
InChI=1S/C16H15N5S/c17-21-15(14-10-4-5-11-18-14)19-20-16(21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+
InChIKey
ZCPQYTKYTCLLAN-RMKNXTFCSA-N
Compound name
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

309.10483 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11211 170.3
[M+Na]+ 332.09405 179.9
[M-H]- 308.09755 175.0
[M+NH4]+ 327.13865 181.5
[M+K]+ 348.06799 172.1
[M+H-H2O]+ 292.10209 160.0
[M+HCOO]- 354.10303 186.8
[M+CH3COO]- 368.11868 180.6
[M+Na-2H]- 330.07950 172.2
[M]+ 309.10428 171.0
[M]- 309.10538 171.0
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.