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

158
Patents

274.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 166.6
[M+Na]+ 297.157338 171.9
[M-H]- 273.160844 171.1
[M+NH4]+ 292.201943 181.0
[M+K]+ 313.131278 169.0
[M+H-H2O]+ 257.165380 158.7
[M+HCOO]- 319.166321 184.7
[M+CH3COO]- 333.181971 200.4
[M+Na-2H]- 295.142786 169.3
[M]+ 274.16757142 164.0
[M]- 274.16866858 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