CID 9588811

145071-49-4

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)C1=CC=C(C=C1)OC(=O)N2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C17H22N2O3/c1-13(2)15-6-8-16(9-7-15)22-17(20)19-10-4-5-14(12-19)11-18-21-3/h5-9,11,13H,4,10,12H2,1-3H3/b18-11+
InChIKey
BCRQFJUSADVDQY-WOJGMQOQSA-N
Compound name
(4-propan-2-ylphenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 172.2
[M+Na]+ 325.15228 183.4
[M+NH4]+ 320.19688 178.7
[M+K]+ 341.12622 177.2
[M-H]- 301.15578 175.4
[M+Na-2H]- 323.13773 178.4
[M]+ 302.16251 174.4
[M]- 302.16361 174.4
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.