CID 53415310

873454-43-4

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-8H,9-11,17H2,1-3H3
InChIKey
CNCSOOBVWRVUSB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

274.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 166.6
[M+Na]+ 297.15734 171.9
[M-H]- 273.16084 171.1
[M+NH4]+ 292.20194 181.0
[M+K]+ 313.13128 169.0
[M+H-H2O]+ 257.16538 158.7
[M+HCOO]- 319.16632 184.7
[M+CH3COO]- 333.18197 200.4
[M+Na-2H]- 295.14279 169.3
[M]+ 274.16757 164.0
[M]- 274.16867 164.0
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

patents stripe