CID 5152218

1-(4-(4-nitrophenylazo)phenyl)octahydroazocine

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C1CCCN(CCC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O2/c24-23(25)19-12-8-17(9-13-19)21-20-16-6-10-18(11-7-16)22-14-4-2-1-3-5-15-22/h6-13H,1-5,14-15H2
InChIKey
XPLBGFPCVWZZRW-UHFFFAOYSA-N
Compound name
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 164.3
[M+Na]+ 361.16352 168.5
[M+NH4]+ 356.20812 166.9
[M+K]+ 377.13746 167.3
[M-H]- 337.16702 167.0
[M+Na-2H]- 359.14897 168.2
[M]+ 338.17375 165.6
[M]- 338.17485 165.6
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.