CID 11368753

2h-tetrazole, 2-(4-methoxyphenyl)-5-phenyl-

Structural Information

Molecular Formula
C14H12N4O
SMILES
COC1=CC=C(C=C1)N2N=C(N=N2)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4O/c1-19-13-9-7-12(8-10-13)18-16-14(15-17-18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
AASNETFLUSPAID-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

252.1011 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 156.6
[M+Na]+ 275.09032 172.9
[M+NH4]+ 270.13492 164.2
[M+K]+ 291.06426 167.0
[M-H]- 251.09382 160.8
[M+Na-2H]- 273.07577 167.8
[M]+ 252.10055 160.2
[M]- 252.10165 160.2
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