CID 4384895

303094-29-3

Structural Information

Molecular Formula
C25H24N4O
SMILES
CCOC1=CC=C(C=C1)C2CC(N3C(=NC=N3)N2)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H24N4O/c1-2-30-22-14-12-20(13-15-22)23-16-24(29-25(28-23)26-17-27-29)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,17,23-24H,2,16H2,1H3,(H,26,27,28)
InChIKey
UAJPVZXUSIODHE-UHFFFAOYSA-N
Compound name
5-(4-ethoxyphenyl)-7-(4-phenylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.195 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20228 198.4
[M+Na]+ 419.18422 204.8
[M-H]- 395.18772 204.8
[M+NH4]+ 414.22882 204.9
[M+K]+ 435.15816 195.6
[M+H-H2O]+ 379.19226 184.7
[M+HCOO]- 441.19320 212.0
[M+CH3COO]- 455.20885 205.5
[M+Na-2H]- 417.16967 199.5
[M]+ 396.19445 195.2
[M]- 396.19555 195.2
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

No patent data available for this compound.