CID 64864

Benzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazenyl)-, ethyl ester

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CCCCN(C)N=NC1=CC=C(C=C1)CCC(=O)OCC
InChI
InChI=1S/C16H25N3O2/c1-4-6-13-19(3)18-17-15-10-7-14(8-11-15)9-12-16(20)21-5-2/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKey
HLPFYIUMBRMITH-UHFFFAOYSA-N
Compound name
ethyl 3-[4-[[butyl(methyl)amino]diazenyl]phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.19467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 172.2
[M+Na]+ 314.18389 181.3
[M+NH4]+ 309.22849 178.8
[M+K]+ 330.15783 174.5
[M-H]- 290.18739 175.7
[M+Na-2H]- 312.16934 177.8
[M]+ 291.19412 174.1
[M]- 291.19522 174.1
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.