CID 30726

21644-95-1

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC1=CC(=CC(=C1O)C)N=NC2=C(C=C(C=C2)N)C
InChI
InChI=1S/C15H17N3O/c1-9-6-12(16)4-5-14(9)18-17-13-7-10(2)15(19)11(3)8-13/h4-8,19H,16H2,1-3H3
InChIKey
VTXAUAWERGJJFS-UHFFFAOYSA-N
Compound name
4-[(4-amino-2-methylphenyl)diazenyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.3
[M+Na]+ 278.12638 168.3
[M-H]- 254.12988 168.1
[M+NH4]+ 273.17098 176.7
[M+K]+ 294.10032 164.8
[M+H-H2O]+ 238.13442 151.3
[M+HCOO]- 300.13536 187.6
[M+CH3COO]- 314.15101 208.4
[M+Na-2H]- 276.11183 163.6
[M]+ 255.13661 160.1
[M]- 255.13771 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.