CID 32888

Al 1612

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCC1=C(NC2=C1C(=O)C(CC2)CN3CCC4(CC3)OCCO4)C
InChI
InChI=1S/C19H28N2O3/c1-3-15-13(2)20-16-5-4-14(18(22)17(15)16)12-21-8-6-19(7-9-21)23-10-11-24-19/h14,20H,3-12H2,1-2H3
InChIKey
HEYLEFPQDGEAMH-UHFFFAOYSA-N
Compound name
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.21 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 181.7
[M+Na]+ 355.19922 191.1
[M+NH4]+ 350.24382 190.3
[M+K]+ 371.17316 187.4
[M-H]- 331.20272 186.7
[M+Na-2H]- 353.18467 183.4
[M]+ 332.20945 184.4
[M]- 332.21055 184.4
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

No patent data available for this compound.