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

1
Patents

271.13208 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 161.7
[M+Na]+ 294.12130 170.1
[M-H]- 270.12480 171.5
[M+NH4]+ 289.16590 178.8
[M+K]+ 310.09524 168.0
[M+H-H2O]+ 254.12934 152.8
[M+HCOO]- 316.13028 191.8
[M+CH3COO]- 330.14593 211.8
[M+Na-2H]- 292.10675 167.3
[M]+ 271.13153 165.4
[M]- 271.13263 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