CID 4673647

Hexahydro-1-(4-(phenylazo)phenyl)-1h-azepine

Structural Information

Molecular Formula
C18H21N3
SMILES
C1CCCN(CC1)C2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C18H21N3/c1-2-7-15-21(14-6-1)18-12-10-17(11-13-18)20-19-16-8-4-3-5-9-16/h3-5,8-13H,1-2,6-7,14-15H2
InChIKey
FOSFMXOCRRIKDL-UHFFFAOYSA-N
Compound name
[4-(azepan-1-yl)phenyl]-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17355 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.180826 167.2
[M+Na]+ 302.162768 169.7
[M-H]- 278.166274 177.5
[M+NH4]+ 297.207373 180.6
[M+K]+ 318.136708 170.3
[M+H-H2O]+ 262.170810 157.3
[M+HCOO]- 324.171751 190.2
[M+CH3COO]- 338.187401 177.4
[M+Na-2H]- 300.148216 172.9
[M]+ 279.17300142 160.3
[M]- 279.17409858 160.3
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.