CID 24847090

102395-58-4

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CCOC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)C(=O)N(CN4C5=CC=CC=C5)C
InChI
InChI=1S/C25H31N3O4/c1-3-30-21-10-7-11-22-23(21)32-20(17-31-22)16-27-14-12-25(13-15-27)24(29)26(2)18-28(25)19-8-5-4-6-9-19/h4-11,20H,3,12-18H2,1-2H3
InChIKey
NBYVLVDHGYDMRH-UHFFFAOYSA-N
Compound name
8-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-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

437.23145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 209.3
[M+Na]+ 460.22067 214.0
[M-H]- 436.22417 217.6
[M+NH4]+ 455.26527 215.9
[M+K]+ 476.19461 210.7
[M+H-H2O]+ 420.22871 196.4
[M+HCOO]- 482.22965 217.5
[M+CH3COO]- 496.24530 215.8
[M+Na-2H]- 458.20612 207.2
[M]+ 437.23090 206.6
[M]- 437.23200 206.6
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.