CID 79167

5284-79-7

Structural Information

Molecular Formula
C21H18N6O
SMILES
CC1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(=CC3=CC=C(C=C3)N=[N+]=[N-])C1
InChI
InChI=1S/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3
InChIKey
MLIWQXBKMZNZNF-UHFFFAOYSA-N
Compound name
2,6-bis[(4-azidophenyl)methylidene]-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3150
Patents

370.1542 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16148 192.9
[M+Na]+ 393.14342 207.2
[M+NH4]+ 388.18802 200.5
[M+K]+ 409.11736 200.3
[M-H]- 369.14692 205.2
[M+Na-2H]- 391.12887 202.4
[M]+ 370.15365 198.0
[M]- 370.15475 198.0
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