CID 105268

66104-36-7

Structural Information

Molecular Formula

C₁₂H₁₃N₅O

SMILES

COC1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N

InChI

InChI=1S/C12H13N5O/c1-18-9-4-2-8(3-5-9)16-17-10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)

InChIKey

ZYFQLPWMMMZNRY-UHFFFAOYSA-N

Compound name

3-[(4-methoxyphenyl)diazenyl]pyridine-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 243.11201 Da
Monoisotopic Mass: 1.9
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]+	244.11929	154.1
[M+Na]+	266.10123	166.2
[M+NH4]+	261.14583	161.6
[M+K]+	282.07517	159.7
[M-H]-	242.10473	160.4
[M+Na-2H]-	264.08668	163.5
[M]+	243.11146	157.3
[M]-	243.11256	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe