CID 11368753

60636-95-5

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.108376	156.1
[M+Na]+	275.090318	165.8
[M-H]-	251.093824	161.1
[M+NH4]+	270.134923	169.0
[M+K]+	291.064258	160.9
[M+H-H2O]+	235.098360	145.0
[M+HCOO]-	297.099301	177.3
[M+CH3COO]-	311.114951	168.0
[M+Na-2H]-	273.075766	162.2
[M]+	252.10055142	157.4
[M]-	252.10164858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe