CID 3072152

Pyrimidine, 2-(4-(4-methylphenyl)-5-(phenoxymethyl)-4h-1,2,4-triazol-3-yl)-

Structural Information

Molecular Formula
C20H17N5O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=NC=CC=N3)COC4=CC=CC=C4
InChI
InChI=1S/C20H17N5O/c1-15-8-10-16(11-9-15)25-18(14-26-17-6-3-2-4-7-17)23-24-20(25)19-21-12-5-13-22-19/h2-13H,14H2,1H3
InChIKey
WUYZXBIGZKONBN-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1433 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15058 182.1
[M+Na]+ 366.13252 200.1
[M+NH4]+ 361.17712 188.9
[M+K]+ 382.10646 192.9
[M-H]- 342.13602 188.1
[M+Na-2H]- 364.11797 194.9
[M]+ 343.14275 186.6
[M]- 343.14385 186.6
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.