CID 2419

Bmy-7378

Structural Information

Molecular Formula
C22H31N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O
InChI
InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChIKey
AYYCFGDXLUPJAQ-UHFFFAOYSA-N
Compound name
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

292
References

531
Patents

385.23654 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.24382 197.9
[M+Na]+ 408.22576 208.2
[M+NH4]+ 403.27036 205.5
[M+K]+ 424.19970 200.9
[M-H]- 384.22926 202.0
[M+Na-2H]- 406.21121 203.5
[M]+ 385.23599 200.4
[M]- 385.23709 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe