CID 1891806

675171-18-3

Structural Information

Molecular Formula
C16H15N5S
SMILES
C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2N)C3=CC=NC=C3
InChI
InChI=1S/C16H15N5S/c17-21-15(14-8-10-18-11-9-14)19-20-16(21)22-12-4-7-13-5-2-1-3-6-13/h1-11H,12,17H2/b7-4+
InChIKey
MYYKWHPXQVGRTF-QPJJXVBHSA-N
Compound name
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-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 169.9
[M+Na]+ 332.09405 184.3
[M+NH4]+ 327.13865 177.1
[M+K]+ 348.06799 176.0
[M-H]- 308.09755 174.6
[M+Na-2H]- 330.07950 179.5
[M]+ 309.10428 173.7
[M]- 309.10538 173.7
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.