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]+ 294.196476 171.9
[M+Na]+ 316.178418 174.8
[M-H]- 292.181924 182.4
[M+NH4]+ 311.223023 185.1
[M+K]+ 332.152358 175.4
[M+H-H2O]+ 276.186460 161.9
[M+HCOO]- 338.187401 194.6
[M+CH3COO]- 352.203051 182.0
[M+Na-2H]- 314.163866 176.3
[M]+ 293.18865142 165.7
[M]- 293.18974858 165.7
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.