CID 24847100

102504-76-7

Structural Information

Molecular Formula
C24H29FN4O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC/C(=N/O)/C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C24H29FN4O2/c1-27-18-29(21-6-3-2-4-7-21)24(23(27)30)13-16-28(17-14-24)15-5-8-22(26-31)19-9-11-20(25)12-10-19/h2-4,6-7,9-12,31H,5,8,13-18H2,1H3/b26-22-
InChIKey
IEDUXCQKIOTXRQ-ROMGYVFFSA-N
Compound name
8-[(4Z)-4-(4-fluorophenyl)-4-hydroxyiminobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.22745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23473 205.7
[M+Na]+ 447.21667 216.0
[M+NH4]+ 442.26127 212.1
[M+K]+ 463.19061 208.5
[M-H]- 423.22017 209.2
[M+Na-2H]- 445.20212 212.4
[M]+ 424.22690 207.9
[M]- 424.22800 207.9
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.