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]+ 319.201616 178.9
[M+Na]+ 341.183558 182.8
[M-H]- 317.187064 181.9
[M+NH4]+ 336.228163 191.2
[M+K]+ 357.157498 180.2
[M+H-H2O]+ 301.191600 170.9
[M+HCOO]- 363.192541 189.8
[M+CH3COO]- 377.208191 202.8
[M+Na-2H]- 339.169006 179.8
[M]+ 318.19379142 176.0
[M]- 318.19488858 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.