CID 116548

Benzenamine, 2,5-dimethoxy-4-((4-methylphenyl)azo)-

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)OC)N)OC
InChI
InChI=1S/C15H17N3O2/c1-10-4-6-11(7-5-10)17-18-13-9-14(19-2)12(16)8-15(13)20-3/h4-9H,16H2,1-3H3
InChIKey
VZMIFBBHAZJWEI-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 161.7
[M+Na]+ 294.121298 170.1
[M-H]- 270.124804 171.5
[M+NH4]+ 289.165903 178.8
[M+K]+ 310.095238 168.0
[M+H-H2O]+ 254.129340 152.8
[M+HCOO]- 316.130281 191.8
[M+CH3COO]- 330.145931 211.8
[M+Na-2H]- 292.106746 167.3
[M]+ 271.13153142 165.4
[M]- 271.13262858 165.4
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

patents stripe