CID 380307

102395-47-1

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CCN1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C24H29N3O3/c1-2-26-18-27(19-8-4-3-5-9-19)24(23(26)28)12-14-25(15-13-24)16-20-17-29-21-10-6-7-11-22(21)30-20/h3-11,20H,2,12-18H2,1H3
InChIKey
RCKWQESNRPYDDB-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-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

407.2209 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 201.8
[M+Na]+ 430.21012 206.3
[M-H]- 406.21362 209.9
[M+NH4]+ 425.25472 209.5
[M+K]+ 446.18406 202.4
[M+H-H2O]+ 390.21816 188.9
[M+HCOO]- 452.21910 210.2
[M+CH3COO]- 466.23475 208.6
[M+Na-2H]- 428.19557 200.5
[M]+ 407.22035 196.9
[M]- 407.22145 196.9
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.