CID 135744246

168152-82-7

Structural Information

Molecular Formula
C21H20N8OS
SMILES
CCCC1=C(C(=O)NC2=NC(=NN12)C)CC3=CC=C(C=C3)C4=C(C=CS4)C5=NNN=N5
InChI
InChI=1S/C21H20N8OS/c1-3-4-17-16(20(30)23-21-22-12(2)26-29(17)21)11-13-5-7-14(8-6-13)18-15(9-10-31-18)19-24-27-28-25-19/h5-10H,3-4,11H2,1-2H3,(H,22,23,26,30)(H,24,25,27,28)
InChIKey
DRMGKOMHHBBKDH-UHFFFAOYSA-N
Compound name
2-methyl-7-propyl-6-[[4-[3-(2H-tetrazol-5-yl)thiophen-2-yl]phenyl]methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

432.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15535 198.2
[M+Na]+ 455.13729 214.8
[M+NH4]+ 450.18189 202.8
[M+K]+ 471.11123 211.6
[M-H]- 431.14079 201.6
[M+Na-2H]- 453.12274 206.3
[M]+ 432.14752 202.0
[M]- 432.14862 202.0
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

patents stripe