CID 21118052

Ns00055148

Structural Information

Molecular Formula

C₁₂H₁₇N₅

SMILES

CNC1=CC=C(C=C1)N=NC2N(C=CN2C)C

InChI

InChI=1S/C12H17N5/c1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3/h4-9,12-13H,1-3H3

InChIKey

IFKAOAIECDTQIW-UHFFFAOYSA-N

Compound name

4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.14839 Da
Monoisotopic Mass: 2.5
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]+	232.155666	152.0
[M+Na]+	254.137608	159.8
[M-H]-	230.141114	159.3
[M+NH4]+	249.182213	169.9
[M+K]+	270.111548	157.5
[M+H-H2O]+	214.145650	142.5
[M+HCOO]-	276.146591	180.1
[M+CH3COO]-	290.162241	203.4
[M+Na-2H]-	252.123056	157.8
[M]+	231.14784142	152.8
[M]-	231.14893858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe