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: 720
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	164.1
[M+Na]+	299.11412	181.5
[M+NH4]+	294.15872	169.1
[M+K]+	315.08806	172.7
[M-H]-	275.11762	162.4
[M+Na-2H]-	297.09957	172.1
[M]+	276.12435	165.8
[M]-	276.12545	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe