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 182.0
[M+Na]+ 355.19922 187.0
[M-H]- 331.20272 187.8
[M+NH4]+ 350.24382 196.4
[M+K]+ 371.17316 184.0
[M+H-H2O]+ 315.20726 174.5
[M+HCOO]- 377.20820 191.8
[M+CH3COO]- 391.22385 190.7
[M+Na-2H]- 353.18467 179.2
[M]+ 332.20945 177.2
[M]- 332.21055 177.2
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