CID 853045

303061-62-3

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(=O)NC(C1=CC(=C(C=C1)OC)OC)NC(=O)C
InChI
InChI=1S/C13H18N2O4/c1-8(16)14-13(15-9(2)17)10-5-6-11(18-3)12(7-10)19-4/h5-7,13H,1-4H3,(H,14,16)(H,15,17)
InChIKey
HAYCHBLQACOTJO-UHFFFAOYSA-N
Compound name
N-[acetamido-(3,4-dimethoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 160.7
[M+Na]+ 289.11587 166.1
[M-H]- 265.11937 164.4
[M+NH4]+ 284.16047 176.6
[M+K]+ 305.08981 165.9
[M+H-H2O]+ 249.12391 153.5
[M+HCOO]- 311.12485 184.2
[M+CH3COO]- 325.14050 203.6
[M+Na-2H]- 287.10132 162.3
[M]+ 266.12610 163.6
[M]- 266.12720 163.6
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.