CID 6269102

Nsc167682

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CN1CN(C2(C1=O)CCN(CC2)C(=O)/C=C/C3=CC=CC=C3OC)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O3/c1-25-18-27(20-9-4-3-5-10-20)24(23(25)29)14-16-26(17-15-24)22(28)13-12-19-8-6-7-11-21(19)30-2/h3-13H,14-18H2,1-2H3/b13-12+
InChIKey
PVROZNLUPRWLFT-OUKQBFOZSA-N
Compound name
8-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-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

405.20523 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 200.7
[M+Na]+ 428.19445 213.1
[M+NH4]+ 423.23905 207.8
[M+K]+ 444.16839 205.5
[M-H]- 404.19795 205.0
[M+Na-2H]- 426.17990 208.2
[M]+ 405.20468 203.6
[M]- 405.20578 203.6
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

No patent data available for this compound.