CID 135480605

Schembl13754955

Structural Information

Molecular Formula
C15H14N6O
SMILES
C1=CC=C(C=C1)CCC2=CC(=NC=N2)/C=C(/C3=NNN=N3)\O
InChI
InChI=1S/C15H14N6O/c22-14(15-18-20-21-19-15)9-13-8-12(16-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,22H,6-7H2,(H,18,19,20,21)/b14-9-
InChIKey
PVGHAQYHDKBSFK-ZROIWOOFSA-N
Compound name
(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(2H-tetrazol-5-yl)ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

294.1229 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13018 168.4
[M+Na]+ 317.11212 175.8
[M-H]- 293.11562 167.8
[M+NH4]+ 312.15672 175.0
[M+K]+ 333.08606 168.3
[M+H-H2O]+ 277.12016 156.3
[M+HCOO]- 339.12110 182.6
[M+CH3COO]- 353.13675 176.5
[M+Na-2H]- 315.09757 172.8
[M]+ 294.12235 165.6
[M]- 294.12345 165.6
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.