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 163.5
[M+Na]+ 361.16352 166.1
[M-H]- 337.16702 167.9
[M+NH4]+ 356.20812 168.6
[M+K]+ 377.13746 163.8
[M+H-H2O]+ 321.17156 159.5
[M+HCOO]- 383.17250 174.2
[M+CH3COO]- 397.18815 235.3
[M+Na-2H]- 359.14897 164.7
[M]+ 338.17375 160.9
[M]- 338.17485 160.9
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.