CID 16227686

155302-27-5

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-10-8-13(9-11-20)15-12-19-16-7-5-4-6-14(15)16/h4-8,12,19H,9-11H2,1-3H3
InChIKey
IGPOPAOZUHAGBC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

298.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 173.0
[M+Na]+ 321.15734 180.0
[M-H]- 297.16084 176.6
[M+NH4]+ 316.20194 187.7
[M+K]+ 337.13128 175.2
[M+H-H2O]+ 281.16538 164.9
[M+HCOO]- 343.16632 189.0
[M+CH3COO]- 357.18197 199.5
[M+Na-2H]- 319.14279 176.0
[M]+ 298.16757 172.3
[M]- 298.16867 172.3
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