CID 2762688

90217-02-0

Structural Information

Molecular Formula

C₁₆H₁₄N₅

SMILES

CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C16H14N5/c1-12-3-7-14(8-4-12)20-18-16(11-17)19-21(20)15-9-5-13(2)6-10-15/h3-10H,1-2H3/q+1

InChIKey

JYHYDJKUXBEAHD-UHFFFAOYSA-N

Compound name

2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 91
References: 728
Patents: 276.1249 Da
Monoisotopic Mass: 5.5
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]+	277.13218	166.5
[M+Na]+	299.11412	177.7
[M-H]-	275.11762	169.0
[M+NH4]+	294.15872	176.5
[M+K]+	315.08806	165.6
[M+H-H2O]+	259.12216	150.6
[M+HCOO]-	321.12310	182.1
[M+CH3COO]-	335.13875	204.8
[M+Na-2H]-	297.09957	171.2
[M]+	276.12435	160.5
[M]-	276.12545	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe