CID 3074994

170658-35-2

Structural Information

Molecular Formula
C15H17N5S
SMILES
C1CN(CCN1CC2=CSC3=NC=NN23)C4=CC=CC=C4
InChI
InChI=1S/C15H17N5S/c1-2-4-13(5-3-1)19-8-6-18(7-9-19)10-14-11-21-15-16-12-17-20(14)15/h1-5,11-12H,6-10H2
InChIKey
UQDOPQHNCRYPCG-UHFFFAOYSA-N
Compound name
6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12773 166.7
[M+Na]+ 322.10967 176.8
[M-H]- 298.11317 171.6
[M+NH4]+ 317.15427 180.4
[M+K]+ 338.08361 171.1
[M+H-H2O]+ 282.11771 156.9
[M+HCOO]- 344.11865 179.8
[M+CH3COO]- 358.13430 177.3
[M+Na-2H]- 320.09512 166.5
[M]+ 299.11990 167.3
[M]- 299.12100 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.