CID 3085778

Dtxsid7072549

Structural Information

Molecular Formula
C24H24N6O
SMILES
CC(C)(C)C1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(=CC3=CC=C(C=C3)N=[N+]=[N-])C1
InChI
InChI=1S/C24H24N6O/c1-24(2,3)20-14-18(12-16-4-8-21(9-5-16)27-29-25)23(31)19(15-20)13-17-6-10-22(11-7-17)28-30-26/h4-13,20H,14-15H2,1-3H3
InChIKey
HKDFKRQONBWPNS-UHFFFAOYSA-N
Compound name
2,6-bis[(4-azidophenyl)methylidene]-4-tert-butylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

412.20117 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20845 202.8
[M+Na]+ 435.19039 204.8
[M-H]- 411.19389 215.4
[M+NH4]+ 430.23499 212.3
[M+K]+ 451.16433 189.8
[M+H-H2O]+ 395.19843 199.7
[M+HCOO]- 457.19937 231.3
[M+CH3COO]- 471.21502 231.9
[M+Na-2H]- 433.17584 210.3
[M]+ 412.20062 194.6
[M]- 412.20172 194.6
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

patents stripe