CID 5361552

Ketone, phenyl 3-pyridyl, o-(2-(dimethylamino)ethyl)oxime, oxalate, hydrate (2:3:1), (e)-

Structural Information

Molecular Formula
C16H19N3O
SMILES
CN(C)CCO/N=C(/C1=CC=CC=C1)\C2=CN=CC=C2
InChI
InChI=1S/C16H19N3O/c1-19(2)11-12-20-18-16(14-7-4-3-5-8-14)15-9-6-10-17-13-15/h3-10,13H,11-12H2,1-2H3/b18-16-
InChIKey
IBSPPRQKMZFBBC-VLGSPTGOSA-N
Compound name
N,N-dimethyl-2-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 163.6
[M+Na]+ 292.142018 168.1
[M-H]- 268.145524 170.9
[M+NH4]+ 287.186623 178.6
[M+K]+ 308.115958 166.1
[M+H-H2O]+ 252.150060 153.5
[M+HCOO]- 314.151001 189.5
[M+CH3COO]- 328.166651 207.8
[M+Na-2H]- 290.127466 170.1
[M]+ 269.15225142 165.6
[M]- 269.15334858 165.6
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.