CID 3085778

72259-80-4

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

30
Patents

412.20117 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.208446 202.8
[M+Na]+ 435.190388 204.8
[M-H]- 411.193894 215.4
[M+NH4]+ 430.234993 212.3
[M+K]+ 451.164328 189.8
[M+H-H2O]+ 395.198430 199.7
[M+HCOO]- 457.199371 231.3
[M+CH3COO]- 471.215021 231.9
[M+Na-2H]- 433.175836 210.3
[M]+ 412.20062142 194.6
[M]- 412.20171858 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