CID 167637

17277-68-8

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)O)C)N
InChI
InChI=1S/C14H15N3O/c1-9-7-11(3-5-13(9)15)16-17-14-6-4-12(18)8-10(14)2/h3-8,18H,15H2,1-2H3
InChIKey
ZPIIWWHBQDZLEA-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylphenyl)diazenyl]-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 154.3
[M+Na]+ 264.11072 162.9
[M-H]- 240.11422 162.9
[M+NH4]+ 259.15532 172.0
[M+K]+ 280.08466 159.5
[M+H-H2O]+ 224.11876 146.3
[M+HCOO]- 286.11970 183.0
[M+CH3COO]- 300.13535 204.1
[M+Na-2H]- 262.09617 159.9
[M]+ 241.12095 154.4
[M]- 241.12205 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.