CID 9588807

4-chlorophenyl (e)-3,6-dihydro-5-((2-propynyloxyimino)methyl)-1(2h)-pyridinecarboxylate

Structural Information

Molecular Formula
C16H15ClN2O3
SMILES
C#CCO/N=C/C1=CCCN(C1)C(=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15ClN2O3/c1-2-10-21-18-11-13-4-3-9-19(12-13)16(20)22-15-7-5-14(17)6-8-15/h1,4-8,11H,3,9-10,12H2/b18-11+
InChIKey
FAISLXUVGPMEFK-WOJGMQOQSA-N
Compound name
(4-chlorophenyl) 5-[(E)-prop-2-ynoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08440 171.1
[M+Na]+ 341.06634 180.1
[M-H]- 317.06984 174.4
[M+NH4]+ 336.11094 183.2
[M+K]+ 357.04028 173.5
[M+H-H2O]+ 301.07438 156.7
[M+HCOO]- 363.07532 183.2
[M+CH3COO]- 377.09097 211.9
[M+Na-2H]- 339.05179 172.8
[M]+ 318.07657 167.9
[M]- 318.07767 167.9
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.