CID 66873

35472-85-6

Structural Information

Molecular Formula

C₁₄H₁₃N₄

SMILES

CC1=CC=CC=C1N=NC2=CC(=C(C=C2)[N+]#N)C

InChI

InChI=1S/C14H13N4/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12/h3-9H,1-2H3/q+1

InChIKey

NAAZRWOXBIIYRD-UHFFFAOYSA-N

Compound name

2-methyl-4-[(2-methylphenyl)diazenyl]benzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 286
Patents: 237.11403 Da
Monoisotopic Mass: 5.1
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]+	238.12131	160.1
[M+Na]+	260.10325	170.1
[M-H]-	236.10675	169.3
[M+NH4]+	255.14785	176.5
[M+K]+	276.07719	161.6
[M+H-H2O]+	220.11129	147.3
[M+HCOO]-	282.11223	186.6
[M+CH3COO]-	296.12788	211.1
[M+Na-2H]-	258.08870	168.5
[M]+	237.11348	156.0
[M]-	237.11458	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe