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]+ 310.112106 170.3
[M+Na]+ 332.094048 179.9
[M-H]- 308.097554 175.0
[M+NH4]+ 327.138653 181.5
[M+K]+ 348.067988 172.1
[M+H-H2O]+ 292.102090 160.0
[M+HCOO]- 354.103031 186.8
[M+CH3COO]- 368.118681 180.6
[M+Na-2H]- 330.079496 172.2
[M]+ 309.10428142 171.0
[M]- 309.10537858 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.