CID 851737

4-(phenoxymethyl)-1-phenyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)COC3=CC=CC=C3
InChI
InChI=1S/C15H13N3O/c1-3-7-14(8-4-1)18-11-13(16-17-18)12-19-15-9-5-2-6-10-15/h1-11H,12H2
InChIKey
YAMKQOLLUFRTQD-UHFFFAOYSA-N
Compound name
4-(phenoxymethyl)-1-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

251.10587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 155.5
[M+Na]+ 274.095088 163.8
[M-H]- 250.098594 161.3
[M+NH4]+ 269.139693 169.6
[M+K]+ 290.069028 159.0
[M+H-H2O]+ 234.103130 144.8
[M+HCOO]- 296.104071 177.8
[M+CH3COO]- 310.119721 167.4
[M+Na-2H]- 272.080536 161.9
[M]+ 251.10532142 156.2
[M]- 251.10641858 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe