CID 89294

2,6-bis(p-azidobenzylidene)cyclohexanone

Structural Information

Molecular Formula
C20H16N6O
SMILES
C1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(=CC3=CC=C(C=C3)N=[N+]=[N-])C1
InChI
InChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2
InChIKey
UZNOMHUYXSAUPB-UHFFFAOYSA-N
Compound name
2,6-bis[(4-azidophenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1985
Patents

356.13855 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14583 185.0
[M+Na]+ 379.12777 187.3
[M-H]- 355.13127 197.6
[M+NH4]+ 374.17237 196.1
[M+K]+ 395.10171 172.6
[M+H-H2O]+ 339.13581 181.8
[M+HCOO]- 401.13675 216.3
[M+CH3COO]- 415.15240 219.9
[M+Na-2H]- 377.11322 193.4
[M]+ 356.13800 175.8
[M]- 356.13910 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe