CID 167638

17277-79-1

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

CC1=C(C=CC(=C1)N=NC2=CC=CC=C2CO)N

InChI

InChI=1S/C14H15N3O/c1-10-8-12(6-7-13(10)15)16-17-14-5-3-2-4-11(14)9-18/h2-8,18H,9,15H2,1H3

InChIKey

IMGUGWPUMUYXKT-UHFFFAOYSA-N

Compound name

[2-[(4-amino-3-methylphenyl)diazenyl]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.1215 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]+	242.12878	153.8
[M+Na]+	264.11072	161.4
[M-H]-	240.11422	162.0
[M+NH4]+	259.15532	171.1
[M+K]+	280.08466	157.9
[M+H-H2O]+	224.11876	145.5
[M+HCOO]-	286.11970	182.5
[M+CH3COO]-	300.13535	202.9
[M+Na-2H]-	262.09617	160.2
[M]+	241.12095	153.4
[M]-	241.12205	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.