CID 3077240

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(3,3-diphenylpropyl)-3-ethyl-4-methylene-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CCN1C(=C)C2(CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)OC1=O
InChI
InChI=1S/C25H30N2O2/c1-3-27-20(2)25(29-24(27)28)15-18-26(19-16-25)17-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,2-3,14-19H2,1H3
InChIKey
FTJZIXOOVOYXDD-UHFFFAOYSA-N
Compound name
8-(3,3-diphenylpropyl)-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.23074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 198.8
[M+Na]+ 413.21996 211.7
[M+NH4]+ 408.26456 207.3
[M+K]+ 429.19390 203.2
[M-H]- 389.22346 205.8
[M+Na-2H]- 411.20541 206.6
[M]+ 390.23019 202.7
[M]- 390.23129 202.7
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.