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]+ 280.18083 167.2
[M+Na]+ 302.16277 169.7
[M-H]- 278.16627 177.5
[M+NH4]+ 297.20737 180.6
[M+K]+ 318.13671 170.3
[M+H-H2O]+ 262.17081 157.3
[M+HCOO]- 324.17175 190.2
[M+CH3COO]- 338.18740 177.4
[M+Na-2H]- 300.14822 172.9
[M]+ 279.17300 160.3
[M]- 279.17410 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.