CID 132316043

2138288-33-0

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C21)CC3COCCN3
InChI
InChI=1S/C18H26N2O3/c1-18(2,3)23-17(21)20-11-13(10-14-12-22-9-8-19-14)15-6-4-5-7-16(15)20/h4-7,13-14,19H,8-12H2,1-3H3
InChIKey
VFOIMBYWNMLAAF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(morpholin-3-ylmethyl)-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 178.9
[M+Na]+ 341.18356 182.8
[M-H]- 317.18706 181.9
[M+NH4]+ 336.22816 191.2
[M+K]+ 357.15750 180.2
[M+H-H2O]+ 301.19160 170.9
[M+HCOO]- 363.19254 189.8
[M+CH3COO]- 377.20819 202.8
[M+Na-2H]- 339.16901 179.8
[M]+ 318.19379 176.0
[M]- 318.19489 176.0
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.