CID 135511136

Schembl13754863

Structural Information

Molecular Formula
C16H14N4O2
SMILES
C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C(/C3=NC=NN3)\O
InChI
InChI=1S/C16H14N4O2/c21-15(16-18-11-19-20-16)8-13-6-7-14(9-17-13)22-10-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,18,19,20)/b15-8-
InChIKey
DNNPPBXFXNOJIM-NVNXTCNLSA-N
Compound name
(Z)-2-(5-phenylmethoxypyridin-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.11166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 166.9
[M+Na]+ 317.10088 173.6
[M-H]- 293.10438 168.8
[M+NH4]+ 312.14548 176.2
[M+K]+ 333.07482 167.2
[M+H-H2O]+ 277.10892 155.9
[M+HCOO]- 339.10986 183.8
[M+CH3COO]- 353.12551 176.1
[M+Na-2H]- 315.08633 170.9
[M]+ 294.11111 164.8
[M]- 294.11221 164.8
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