CID 9588801

145071-38-1

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OCCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3/c1-20-17-12-15-8-5-10-18(13-15)16(19)21-11-9-14-6-3-2-4-7-14/h2-4,6-8,12H,5,9-11,13H2,1H3/b17-12+
InChIKey
JDOQFCLBKHCQSK-SFQUDFHCSA-N
Compound name
2-phenylethyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 167.6
[M+Na]+ 311.136618 172.0
[M-H]- 287.140124 173.2
[M+NH4]+ 306.181223 181.7
[M+K]+ 327.110558 169.7
[M+H-H2O]+ 271.144660 158.0
[M+HCOO]- 333.145601 189.7
[M+CH3COO]- 347.161251 203.3
[M+Na-2H]- 309.122066 171.6
[M]+ 288.14685142 168.5
[M]- 288.14794858 168.5
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.