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]+	241.10838	154.0
[M+Na]+	263.09032	166.7
[M+NH4]+	258.13492	162.8
[M+K]+	279.06426	158.9
[M-H]-	239.09382	161.9
[M+Na-2H]-	261.07577	165.6
[M]+	240.10055	157.9
[M]-	240.10165	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe