CID 27823

16339-01-8

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

CN(C1=CC=C(C=C1)N=NC2=CC=CC=C2)N=O

InChI

InChI=1S/C13H12N4O/c1-17(16-18)13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3

InChIKey

YKCOXSGBLMSJLH-UHFFFAOYSA-N

Compound name

N-methyl-N-(4-phenyldiazenylphenyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 240.1011 Da
Monoisotopic Mass: 4.3
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]+	241.108376	151.0
[M+Na]+	263.090318	157.4
[M-H]-	239.093824	163.2
[M+NH4]+	258.134923	169.5
[M+K]+	279.064258	157.1
[M+H-H2O]+	223.098360	141.2
[M+HCOO]-	285.099301	185.3
[M+CH3COO]-	299.114951	210.8
[M+Na-2H]-	261.075766	161.0
[M]+	240.10055142	154.0
[M]-	240.10164858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe