CID 168775

28226-01-9

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CN(C)N=NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15N3O/c1-18(2)17-16-14-10-8-13(9-11-14)15(19)12-6-4-3-5-7-12/h3-11H,1-2H3

InChIKey

JCUWPEIPTCHCJW-UHFFFAOYSA-N

Compound name

[4-(dimethylaminodiazenyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 253.1215 Da
Monoisotopic Mass: 3.9
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]+	254.12878	157.6
[M+Na]+	276.11072	163.3
[M-H]-	252.11422	168.2
[M+NH4]+	271.15532	175.2
[M+K]+	292.08466	162.1
[M+H-H2O]+	236.11876	148.3
[M+HCOO]-	298.11970	187.7
[M+CH3COO]-	312.13535	210.1
[M+Na-2H]-	274.09617	164.4
[M]+	253.12095	159.5
[M]-	253.12205	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe