CID 11221120

745047-97-6

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=CC=CC=N2)OC
InChI
InChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
DWXUCYSOIKPLJM-UHFFFAOYSA-N
Compound name
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

282
Patents

327.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.165576 178.5
[M+Na]+ 350.147518 183.3
[M-H]- 326.151024 183.5
[M+NH4]+ 345.192123 190.2
[M+K]+ 366.121458 179.9
[M+H-H2O]+ 310.155560 168.7
[M+HCOO]- 372.156501 201.3
[M+CH3COO]- 386.172151 213.3
[M+Na-2H]- 348.132966 181.6
[M]+ 327.15775142 180.1
[M]- 327.15884858 180.1
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