CID 323861

68161-23-9

Structural Information

Molecular Formula
C26H21ClN2O
SMILES
CC(C)(C)C1(C(=O)N(C12C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)Cl)C#N
InChI
InChI=1S/C26H21ClN2O/c1-24(2,3)25(16-28)23(30)29(18-14-12-17(27)13-15-18)26(25)21-10-6-4-8-19(21)20-9-5-7-11-22(20)26/h4-15H,1-3H3
InChIKey
KETOOGQDPNKANE-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-(4-chlorophenyl)-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13425 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14153 205.9
[M+Na]+ 435.12347 220.2
[M-H]- 411.12697 213.4
[M+NH4]+ 430.16807 217.0
[M+K]+ 451.09741 210.0
[M+H-H2O]+ 395.13151 187.7
[M+HCOO]- 457.13245 215.0
[M+CH3COO]- 471.14810 214.3
[M+Na-2H]- 433.10892 208.0
[M]+ 412.13370 212.3
[M]- 412.13480 212.3
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.