CID 39521

49745-00-8

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(=NC1=CC=C(C=C1)NC(=O)COC)N(C)C
InChI
InChI=1S/C13H19N3O2/c1-10(16(2)3)14-11-5-7-12(8-6-11)15-13(17)9-18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChIKey
MKFMTNNOZQXQBP-UHFFFAOYSA-N
Compound name
N-[4-[1-(dimethylamino)ethylideneamino]phenyl]-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1384
Patents

249.14772 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 159.5
[M+Na]+ 272.13694 164.2
[M-H]- 248.14044 165.6
[M+NH4]+ 267.18154 177.1
[M+K]+ 288.11088 164.5
[M+H-H2O]+ 232.14498 151.5
[M+HCOO]- 294.14592 186.6
[M+CH3COO]- 308.16157 207.5
[M+Na-2H]- 270.12239 162.9
[M]+ 249.14717 162.0
[M]- 249.14827 162.0
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

No patent data available for this compound.