CID 3074929

168152-92-9

Structural Information

Molecular Formula
C22H20N8
SMILES
CCCC1=C(C=NC2=NC=NN12)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C22H20N8/c1-2-5-20-17(13-23-22-24-14-25-30(20)22)12-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-26-28-29-27-21/h3-4,6-11,13-14H,2,5,12H2,1H3,(H,26,27,28,29)
InChIKey
QIYANAFDPZHKKM-UHFFFAOYSA-N
Compound name
7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.1811 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18838 195.5
[M+Na]+ 419.17032 206.2
[M-H]- 395.17382 199.2
[M+NH4]+ 414.21492 199.1
[M+K]+ 435.14426 195.7
[M+H-H2O]+ 379.17836 181.6
[M+HCOO]- 441.17930 209.4
[M+CH3COO]- 455.19495 202.9
[M+Na-2H]- 417.15577 197.3
[M]+ 396.18055 197.2
[M]- 396.18165 197.2
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