CID 3557886

Hexahydro-1-(4-(p-tolylazo)phenyl)-1h-azepine

Structural Information

Molecular Formula
C19H23N3
SMILES
CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3CCCCCC3
InChI
InChI=1S/C19H23N3/c1-16-6-8-17(9-7-16)20-21-18-10-12-19(13-11-18)22-14-4-2-3-5-15-22/h6-13H,2-5,14-15H2,1H3
InChIKey
ADCRBSUIUXLQTK-UHFFFAOYSA-N
Compound name
[4-(azepan-1-yl)phenyl]-(4-methylphenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 176.2
[M+Na]+ 316.17842 188.0
[M+NH4]+ 311.22302 184.5
[M+K]+ 332.15236 179.8
[M-H]- 292.18192 183.8
[M+Na-2H]- 314.16387 186.3
[M]+ 293.18865 180.2
[M]- 293.18975 180.2
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.