CID 6269102

1,3,8-triazaspiro(4.5)decan-4-one, 8-(o-methoxycinnamoyl)-3-methyl-1-phenyl-

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]+ 406.212506 201.3
[M+Na]+ 428.194448 206.4
[M-H]- 404.197954 208.1
[M+NH4]+ 423.239053 211.1
[M+K]+ 444.168388 200.3
[M+H-H2O]+ 388.202490 189.2
[M+HCOO]- 450.203431 214.4
[M+CH3COO]- 464.219081 208.6
[M+Na-2H]- 426.179896 198.3
[M]+ 405.20468142 197.4
[M]- 405.20577858 197.4
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.