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
1
Annotation Hits

1
References

74
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 201.0
[M+Na]+ 416.21087 212.3
[M+NH4]+ 411.25547 208.2
[M+K]+ 432.18481 203.8
[M-H]- 392.21437 204.2
[M+Na-2H]- 414.19632 207.9
[M]+ 393.22110 203.4
[M]- 393.22220 203.4
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