CID 101660

Spirilene

Structural Information

Molecular Formula
C24H28FN3O
SMILES
CC(=CCCN1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H28FN3O/c1-19(20-9-11-21(25)12-10-20)6-5-15-27-16-13-24(14-17-27)23(29)26-18-28(24)22-7-3-2-4-8-22/h2-4,6-12H,5,13-18H2,1H3,(H,26,29)
InChIKey
YBPJJOQQWQASHM-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)pent-3-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

152
Patents

393.22165 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22893 199.4
[M+Na]+ 416.21087 203.3
[M-H]- 392.21437 203.1
[M+NH4]+ 411.25547 208.9
[M+K]+ 432.18481 195.0
[M+H-H2O]+ 376.21891 186.4
[M+HCOO]- 438.21985 209.5
[M+CH3COO]- 452.23550 205.4
[M+Na-2H]- 414.19632 195.8
[M]+ 393.22110 190.4
[M]- 393.22220 190.4
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.