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
4
Annotation Hits

0
References

283
Patents

327.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 178.5
[M+Na]+ 350.14752 183.3
[M-H]- 326.15102 183.5
[M+NH4]+ 345.19212 190.2
[M+K]+ 366.12146 179.9
[M+H-H2O]+ 310.15556 168.7
[M+HCOO]- 372.15650 201.3
[M+CH3COO]- 386.17215 213.3
[M+Na-2H]- 348.13297 181.6
[M]+ 327.15775 180.1
[M]- 327.15885 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