CID 19626

3789-78-4

Structural Information

Molecular Formula

C₁₆H₁₇N₃O

SMILES

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

InChI

InChI=1S/C16H17N3O/c1-12(20)13-5-4-6-15(11-13)18-17-14-7-9-16(10-8-14)19(2)3/h4-11H,1-3H3

InChIKey

NXWXQKSMPANXPG-UHFFFAOYSA-N

Compound name

1-[3-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.13718 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]+	268.144456	162.2
[M+Na]+	290.126398	168.5
[M-H]-	266.129904	173.1
[M+NH4]+	285.171003	179.6
[M+K]+	306.100338	167.1
[M+H-H2O]+	250.134440	152.9
[M+HCOO]-	312.135381	192.0
[M+CH3COO]-	326.151031	214.2
[M+Na-2H]-	288.111846	167.8
[M]+	267.13663142	164.9
[M]-	267.13772858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe