CID 11739408

745047-53-4

Structural Information

Molecular Formula
C18H21N3O4
SMILES
COC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=CC=CC=N2)OC
InChI
InChI=1S/C18H21N3O4/c1-24-15-7-6-13(16(11-15)25-2)12-21-18(23)17(22)20-10-8-14-5-3-4-9-19-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
HETCYFFYGYGQSP-UHFFFAOYSA-N
Compound name
N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

282
Patents

343.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 180.9
[M+Na]+ 366.14242 185.5
[M-H]- 342.14592 185.9
[M+NH4]+ 361.18702 191.9
[M+K]+ 382.11636 182.9
[M+H-H2O]+ 326.15046 170.9
[M+HCOO]- 388.15140 203.9
[M+CH3COO]- 402.16705 215.5
[M+Na-2H]- 364.12787 184.2
[M]+ 343.15265 184.0
[M]- 343.15375 184.0
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